REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1w0j_1_C DATA FIRST_RESID 13 DATA SEQUENCE EERILGADTS VDLEETGRVL SIGDGIARVH GLRNVQAEEM VEFSSGLKGM DATA SEQUENCE SLNLEPDNVG VVVFGNDKLI KEGDIVKRTG AIVDVPVGEE LLGRVVDALG DATA SEQUENCE NAIDGKGPIG SKARRRVGLK APGIIPRISV REPMQTGIKA VDSLVPIGRG DATA SEQUENCE QRELIIGDRQ TGKTSIAIDT IINQKRFNDG TDEKKKLYCI YVAIGQKRST DATA SEQUENCE VAQLVKRLTD ADAMKYTIVV SATASDAAPL QYLAPYSGCS MGEYFRDNGK DATA SEQUENCE HALIIYDDLS KQAVAYRQMS LLLRRPPGRE AYPGDVFYLH SRLLERAAKM DATA SEQUENCE NDAFGGGSLT ALPVIETQAG DVSAYIPTNV ISITDGQIFL ETELFYKGIR DATA SEQUENCE PAINVGLSVS RVGSAAQTRA MKQVAGTMKL ELAQYREVAA FAQFGSDLDA DATA SEQUENCE ATQQLLSRGV RLTELLKQGQ YSPMAIEEQV AVIYAGVRGY LDKLEPSKIT DATA SEQUENCE KFENAFLSHV ISQHQALLGK IRTDGKISEE SDAKLKEIVT NFLAGFEA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 E HA 0.000 nan 4.350 nan 0.000 0.291 13 E C 0.000 176.600 176.600 0.001 0.000 1.382 13 E CA 0.000 56.400 56.400 0.001 0.000 0.976 13 E CB 0.000 29.700 29.700 0.001 0.000 0.812 14 E N 0.107 120.307 120.200 0.001 0.000 6.260 14 E HA -0.348 4.003 4.350 0.001 0.000 0.174 14 E C -0.111 176.489 176.600 0.001 0.000 1.475 14 E CA 1.655 58.056 56.400 0.001 0.000 2.515 14 E CB -0.716 28.985 29.700 0.001 0.000 1.897 14 E HN 0.387 nan 8.360 nan 0.000 0.457 15 R N 0.847 121.348 120.500 0.001 0.000 3.059 15 R HA 0.290 4.631 4.340 0.001 0.000 0.161 15 R C 0.640 176.941 176.300 0.001 0.000 0.758 15 R CA 0.453 56.553 56.100 0.001 0.000 1.064 15 R CB -0.090 30.211 30.300 0.001 0.000 1.538 15 R HN 0.666 nan 8.270 nan 0.000 0.574 16 I N 4.828 125.399 120.570 0.001 0.000 6.340 16 I HA -0.262 3.909 4.170 0.001 0.000 0.126 16 I C -0.530 175.588 176.117 0.002 0.000 1.427 16 I CA 0.130 61.431 61.300 0.001 0.000 2.506 16 I CB -0.880 37.121 38.000 0.001 0.000 2.696 16 I HN 0.249 nan 8.210 nan 0.000 0.291 17 L N 4.981 126.205 121.223 0.002 0.000 2.456 17 L HA 0.592 4.932 4.340 0.001 0.000 0.272 17 L C 1.169 178.041 176.870 0.002 0.000 1.189 17 L CA 0.304 55.145 54.840 0.002 0.000 0.846 17 L CB -0.023 42.037 42.059 0.002 0.000 1.111 17 L HN 0.488 nan 8.230 nan 0.000 0.475 18 G N 1.531 110.332 108.800 0.002 0.000 2.361 18 G HA2 0.474 4.435 3.960 0.001 0.000 0.260 18 G HA3 0.474 4.435 3.960 0.001 0.000 0.260 18 G C 0.315 175.216 174.900 0.002 0.000 1.261 18 G CA -0.111 44.990 45.100 0.002 0.000 0.897 18 G HN 1.152 nan 8.290 nan 0.000 0.499 19 A N 2.592 125.414 122.820 0.003 0.000 2.492 19 A HA 0.261 4.581 4.320 0.001 0.000 0.236 19 A C 0.677 178.263 177.584 0.003 0.000 1.078 19 A CA -0.141 51.898 52.037 0.003 0.000 0.773 19 A CB 0.298 19.300 19.000 0.003 0.000 1.023 19 A HN 0.665 nan 8.150 nan 0.000 0.504 20 D N 0.913 121.315 120.400 0.004 0.000 2.338 20 D HA 0.183 4.824 4.640 0.001 0.000 0.255 20 D C 1.171 177.473 176.300 0.004 0.000 1.237 20 D CA 0.756 54.758 54.000 0.004 0.000 0.883 20 D CB 0.571 41.374 40.800 0.005 0.000 1.087 20 D HN 0.512 nan 8.370 nan 0.000 0.485 21 T N -0.611 113.944 114.554 0.003 0.000 3.145 21 T HA -0.007 4.344 4.350 0.001 0.000 0.255 21 T C 1.578 176.278 174.700 0.001 0.000 1.039 21 T CA 0.106 62.207 62.100 0.002 0.000 0.928 21 T CB -0.132 68.737 68.868 0.001 0.000 1.029 21 T HN 0.235 nan 8.240 nan 0.000 0.554 22 S N 0.671 116.372 115.700 0.001 0.000 2.515 22 S HA 0.067 4.537 4.470 0.001 0.000 0.231 22 S C 1.006 175.605 174.600 -0.001 0.000 0.987 22 S CA -0.050 58.150 58.200 0.000 0.000 0.936 22 S CB -0.345 62.856 63.200 0.001 0.000 0.766 22 S HN 0.349 nan 8.310 nan 0.000 0.528 23 V N 3.676 123.591 119.914 0.002 0.000 2.778 23 V HA 0.187 4.308 4.120 0.001 0.000 0.356 23 V C -0.241 175.856 176.094 0.005 0.000 1.283 23 V CA -0.768 61.534 62.300 0.003 0.000 1.247 23 V CB -0.289 31.539 31.823 0.008 0.000 1.408 23 V HN 0.571 nan 8.190 nan 0.000 0.620 24 D N 0.437 120.837 120.400 -0.000 0.000 2.382 24 D HA 0.023 4.663 4.640 0.001 0.000 0.240 24 D C 0.742 177.036 176.300 -0.008 0.000 1.146 24 D CA -0.255 53.744 54.000 -0.001 0.000 0.897 24 D CB 1.951 42.747 40.800 -0.006 0.000 1.197 24 D HN 0.263 nan 8.370 nan 0.000 0.432 25 L N 0.519 121.736 121.223 -0.011 0.000 2.672 25 L HA 0.068 4.409 4.340 0.001 0.000 0.236 25 L C 1.650 178.485 176.870 -0.059 0.000 1.186 25 L CA 0.153 54.971 54.840 -0.036 0.000 0.977 25 L CB -0.408 41.625 42.059 -0.043 0.000 1.203 25 L HN 0.425 nan 8.230 nan 0.000 0.448 26 E N -0.316 119.859 120.200 -0.042 0.000 2.201 26 E HA -0.034 4.316 4.350 0.001 0.000 0.193 26 E C 1.457 178.032 176.600 -0.042 0.000 0.957 26 E CA 0.379 56.753 56.400 -0.042 0.000 0.858 26 E CB 0.546 30.228 29.700 -0.030 0.000 0.816 26 E HN 0.243 nan 8.360 nan 0.000 0.475 27 E N -0.104 120.074 120.200 -0.036 0.000 2.489 27 E HA 0.079 4.430 4.350 0.001 0.000 0.204 27 E C 0.207 176.780 176.600 -0.044 0.000 1.006 27 E CA 0.420 56.799 56.400 -0.035 0.000 0.936 27 E CB 1.300 30.985 29.700 -0.025 0.000 1.002 27 E HN 0.224 nan 8.360 nan 0.000 0.488 28 T N -2.768 111.758 114.554 -0.047 0.000 2.843 28 T HA 0.758 5.109 4.350 0.001 0.000 0.302 28 T C 0.129 174.797 174.700 -0.053 0.000 1.232 28 T CA -0.524 61.544 62.100 -0.053 0.000 1.009 28 T CB 2.405 71.253 68.868 -0.033 0.000 1.254 28 T HN -0.020 nan 8.240 nan 0.000 0.504 29 G N 0.126 108.893 108.800 -0.056 0.000 2.866 29 G HA2 0.737 4.698 3.960 0.001 0.000 0.289 29 G HA3 0.737 4.698 3.960 0.001 0.000 0.289 29 G C -1.706 173.202 174.900 0.013 0.000 1.396 29 G CA -1.177 43.907 45.100 -0.026 0.000 0.848 29 G HN 0.811 nan 8.290 nan 0.000 0.515 30 R N -0.813 119.732 120.500 0.075 0.000 2.628 30 R HA 0.520 4.860 4.340 0.001 0.000 0.288 30 R C -0.792 175.564 176.300 0.094 0.000 0.980 30 R CA -0.654 55.494 56.100 0.080 0.000 0.891 30 R CB 2.597 32.949 30.300 0.086 0.000 1.188 30 R HN 0.340 nan 8.270 nan 0.000 0.450 31 V N 5.473 125.441 119.914 0.090 0.000 2.485 31 V HA -0.026 4.095 4.120 0.001 0.000 0.287 31 V C 1.298 177.436 176.094 0.074 0.000 1.022 31 V CA 0.509 62.873 62.300 0.107 0.000 1.067 31 V CB 0.543 32.455 31.823 0.149 0.000 0.967 31 V HN 0.731 nan 8.190 nan 0.000 0.479 32 L N 3.971 125.235 121.223 0.069 0.000 2.168 32 L HA 0.129 4.470 4.340 0.001 0.000 0.203 32 L C 0.941 177.828 176.870 0.029 0.000 1.078 32 L CA 0.872 55.737 54.840 0.041 0.000 0.780 32 L CB 0.034 42.121 42.059 0.047 0.000 0.939 32 L HN 0.836 nan 8.230 nan 0.000 0.451 33 S N -1.074 114.647 115.700 0.036 0.000 2.550 33 S HA 0.659 5.129 4.470 0.001 0.000 0.270 33 S C -1.069 173.547 174.600 0.025 0.000 1.145 33 S CA -0.781 57.432 58.200 0.022 0.000 0.852 33 S CB 2.651 65.858 63.200 0.012 0.000 1.119 33 S HN 0.013 nan 8.310 nan 0.000 0.465 34 I N 0.271 120.846 120.570 0.007 0.000 2.644 34 I HA 0.839 5.010 4.170 0.001 0.000 0.291 34 I C -0.558 175.545 176.117 -0.023 0.000 1.180 34 I CA 0.280 61.575 61.300 -0.010 0.000 1.040 34 I CB 1.620 39.606 38.000 -0.023 0.000 1.255 34 I HN 1.285 nan 8.210 nan 0.000 0.422 35 G N 4.606 113.388 108.800 -0.031 0.000 2.752 35 G HA2 0.419 4.380 3.960 0.001 0.000 0.298 35 G HA3 0.419 4.380 3.960 0.001 0.000 0.298 35 G C -1.169 173.708 174.900 -0.039 0.000 1.434 35 G CA -0.491 44.590 45.100 -0.032 0.000 1.004 35 G HN 0.706 nan 8.290 nan 0.000 0.560 36 D N 0.257 120.634 120.400 -0.039 0.000 2.751 36 D HA -0.217 4.423 4.640 0.001 0.000 0.233 36 D C 1.608 177.880 176.300 -0.047 0.000 1.149 36 D CA 2.553 56.531 54.000 -0.038 0.000 0.682 36 D CB -1.097 39.682 40.800 -0.035 0.000 1.068 36 D HN 2.192 nan 8.370 nan 0.000 0.429 37 G N -0.839 107.925 108.800 -0.061 0.000 2.162 37 G HA2 -0.302 3.659 3.960 0.001 0.000 0.260 37 G HA3 -0.302 3.659 3.960 0.001 0.000 0.260 37 G C 0.214 175.065 174.900 -0.082 0.000 0.976 37 G CA 0.311 45.364 45.100 -0.079 0.000 0.655 37 G HN 0.488 nan 8.290 nan 0.000 0.533 38 I N 1.228 121.762 120.570 -0.061 0.000 2.328 38 I HA 0.647 4.817 4.170 0.001 0.000 0.287 38 I C 0.629 176.738 176.117 -0.014 0.000 1.012 38 I CA -1.029 60.247 61.300 -0.041 0.000 1.195 38 I CB 0.853 38.831 38.000 -0.037 0.000 1.350 38 I HN 0.303 nan 8.210 nan 0.000 0.464 39 A N 7.883 130.721 122.820 0.029 0.000 2.274 39 A HA 0.634 4.955 4.320 0.001 0.000 0.309 39 A C 0.099 177.729 177.584 0.076 0.000 1.226 39 A CA -0.700 51.391 52.037 0.091 0.000 0.853 39 A CB 0.640 19.797 19.000 0.262 0.000 1.146 39 A HN 0.553 nan 8.150 nan 0.000 0.518 40 R N 2.007 122.542 120.500 0.058 0.000 2.202 40 R HA 0.432 4.773 4.340 0.001 0.000 0.334 40 R C -1.008 175.331 176.300 0.066 0.000 1.036 40 R CA -0.280 55.848 56.100 0.047 0.000 0.878 40 R CB 1.071 31.392 30.300 0.034 0.000 1.067 40 R HN 0.452 nan 8.270 nan 0.000 0.457 41 V N 3.542 123.488 119.914 0.054 0.000 2.459 41 V HA 0.171 4.292 4.120 0.001 0.000 0.295 41 V C 0.093 176.224 176.094 0.061 0.000 1.029 41 V CA -0.977 61.355 62.300 0.054 0.000 0.874 41 V CB 1.451 33.277 31.823 0.004 0.000 0.985 41 V HN 0.700 nan 8.190 nan 0.000 0.438 42 H N 3.123 122.191 119.070 -0.004 0.000 2.582 42 H HA 0.624 5.180 4.556 0.001 0.000 0.345 42 H C 0.654 175.973 175.328 -0.016 0.000 1.104 42 H CA 1.501 57.544 56.048 -0.008 0.000 1.390 42 H CB 1.079 30.840 29.762 -0.003 0.000 1.461 42 H HN 1.086 nan 8.280 nan 0.000 0.551 43 G N 2.736 111.165 108.800 -0.618 0.000 2.496 43 G HA2 -0.257 3.704 3.960 0.001 0.000 0.243 43 G HA3 -0.257 3.704 3.960 0.001 0.000 0.243 43 G C 0.018 174.804 174.900 -0.189 0.000 1.176 43 G CA -0.335 44.543 45.100 -0.371 0.000 0.940 43 G HN 1.219 nan 8.290 nan 0.000 0.573 44 L N -0.243 120.907 121.223 -0.122 0.000 3.829 44 L HA -0.232 4.109 4.340 0.001 0.000 0.440 44 L C 2.248 179.068 176.870 -0.082 0.000 1.192 44 L CA 0.820 55.606 54.840 -0.090 0.000 0.848 44 L CB -0.741 41.266 42.059 -0.086 0.000 1.744 44 L HN 0.620 nan 8.230 nan 0.000 0.920 45 R N -0.068 120.379 120.500 -0.087 0.000 2.200 45 R HA -0.087 4.254 4.340 0.001 0.000 0.234 45 R C 1.392 177.663 176.300 -0.049 0.000 1.127 45 R CA 1.283 57.341 56.100 -0.071 0.000 0.989 45 R CB -0.405 29.854 30.300 -0.069 0.000 0.869 45 R HN 0.570 nan 8.270 nan 0.000 0.459 46 N N 0.209 118.883 118.700 -0.044 0.000 2.280 46 N HA 0.004 4.744 4.740 0.001 0.000 0.192 46 N C 0.071 175.563 175.510 -0.029 0.000 1.109 46 N CA 0.033 53.064 53.050 -0.032 0.000 0.855 46 N CB 0.334 38.804 38.487 -0.027 0.000 0.974 46 N HN 0.028 nan 8.380 nan 0.000 0.482 47 V N -0.430 119.462 119.914 -0.036 0.000 2.872 47 V HA 0.076 4.197 4.120 0.001 0.000 0.307 47 V C 0.433 176.516 176.094 -0.019 0.000 1.072 47 V CA -0.547 61.735 62.300 -0.029 0.000 1.148 47 V CB 0.349 32.150 31.823 -0.036 0.000 0.954 47 V HN 0.075 nan 8.190 nan 0.000 0.490 48 Q N 2.367 122.160 119.800 -0.011 0.000 2.230 48 Q HA 0.662 5.002 4.340 0.001 0.000 0.248 48 Q C 0.279 176.280 176.000 0.002 0.000 0.915 48 Q CA -0.366 55.435 55.803 -0.003 0.000 0.900 48 Q CB 1.563 30.302 28.738 0.003 0.000 1.229 48 Q HN 1.130 nan 8.270 nan 0.000 0.439 49 A N 2.238 125.061 122.820 0.006 0.000 2.548 49 A HA 0.022 4.342 4.320 0.001 0.000 0.247 49 A C 0.077 177.674 177.584 0.021 0.000 1.067 49 A CA 0.327 52.372 52.037 0.012 0.000 0.757 49 A CB -0.290 18.720 19.000 0.016 0.000 0.996 49 A HN 0.965 nan 8.150 nan 0.000 0.504 50 E N -0.455 119.762 120.200 0.028 0.000 3.547 50 E HA -0.193 4.158 4.350 0.001 0.000 0.309 50 E C 0.067 176.699 176.600 0.053 0.000 0.855 50 E CA 1.100 57.528 56.400 0.046 0.000 1.122 50 E CB -1.533 28.192 29.700 0.041 0.000 1.569 50 E HN 0.932 nan 8.360 nan 0.000 0.429 51 E N 0.861 121.083 120.200 0.038 0.000 2.313 51 E HA 0.285 4.635 4.350 0.001 0.000 0.276 51 E C -0.067 176.568 176.600 0.058 0.000 1.031 51 E CA -0.527 55.895 56.400 0.038 0.000 0.857 51 E CB 0.688 30.396 29.700 0.014 0.000 1.040 51 E HN 0.060 nan 8.360 nan 0.000 0.408 52 M N 5.522 125.171 119.600 0.082 0.000 2.246 52 M HA 0.105 4.586 4.480 0.001 0.000 0.350 52 M C -1.004 175.327 176.300 0.051 0.000 1.406 52 M CA -0.100 55.269 55.300 0.115 0.000 1.089 52 M CB 0.623 33.301 32.600 0.130 0.000 1.782 52 M HN 0.343 nan 8.290 nan 0.000 0.457 53 V N 2.043 121.973 119.914 0.028 0.000 3.019 53 V HA 0.744 4.865 4.120 0.001 0.000 0.317 53 V C -0.710 175.347 176.094 -0.062 0.000 1.094 53 V CA -0.822 61.437 62.300 -0.069 0.000 1.000 53 V CB 2.028 33.743 31.823 -0.180 0.000 1.060 53 V HN 0.833 nan 8.190 nan 0.000 0.443 54 E N 1.037 121.152 120.200 -0.143 0.000 2.222 54 E HA 0.586 4.937 4.350 0.001 0.000 0.267 54 E C -1.787 174.702 176.600 -0.185 0.000 0.884 54 E CA -0.399 55.969 56.400 -0.054 0.000 0.764 54 E CB 2.491 32.194 29.700 0.005 0.000 1.169 54 E HN 0.639 nan 8.360 nan 0.000 0.413 55 F N 0.760 120.728 119.950 0.030 0.000 2.432 55 F HA 0.100 4.628 4.527 0.001 0.000 0.329 55 F C 1.801 177.615 175.800 0.023 0.000 1.076 55 F CA -0.323 57.691 58.000 0.023 0.000 1.018 55 F CB 1.554 40.566 39.000 0.021 0.000 1.201 55 F HN 0.495 nan 8.300 nan 0.000 0.489 56 S N -0.113 115.710 115.700 0.205 0.000 2.381 56 S HA -0.303 4.168 4.470 0.001 0.000 0.230 56 S C 1.915 176.582 174.600 0.113 0.000 1.052 56 S CA 1.852 60.125 58.200 0.122 0.000 1.068 56 S CB -1.124 62.136 63.200 0.100 0.000 0.918 56 S HN 0.710 nan 8.310 nan 0.000 0.448 57 S N 1.042 116.819 115.700 0.128 0.000 2.500 57 S HA 0.295 4.766 4.470 0.001 0.000 0.239 57 S C 1.742 176.394 174.600 0.087 0.000 0.989 57 S CA 0.758 59.009 58.200 0.085 0.000 0.951 57 S CB -0.758 62.473 63.200 0.052 0.000 0.759 57 S HN 1.373 nan 8.310 nan 0.000 0.523 58 G N 0.515 109.387 108.800 0.121 0.000 2.195 58 G HA2 -0.211 3.749 3.960 0.001 0.000 0.224 58 G HA3 -0.211 3.749 3.960 0.001 0.000 0.224 58 G C -0.034 174.950 174.900 0.140 0.000 0.990 58 G CA -0.098 45.068 45.100 0.110 0.000 0.639 58 G HN 0.498 nan 8.290 nan 0.000 0.514 59 L N 1.139 122.462 121.223 0.167 0.000 2.456 59 L HA 0.396 4.736 4.340 0.001 0.000 0.272 59 L C 0.954 178.033 176.870 0.347 0.000 1.189 59 L CA 0.001 54.954 54.840 0.188 0.000 0.846 59 L CB 0.546 42.632 42.059 0.043 0.000 1.111 59 L HN 0.058 nan 8.230 nan 0.000 0.475 60 K N 1.376 121.969 120.400 0.322 0.000 2.095 60 K HA 0.718 5.039 4.320 0.001 0.000 0.252 60 K C 0.074 176.929 176.600 0.425 0.000 0.977 60 K CA -0.525 55.987 56.287 0.376 0.000 0.900 60 K CB 1.765 34.476 32.500 0.352 0.000 1.060 60 K HN 0.777 nan 8.250 nan 0.000 0.449 61 G N 0.589 109.585 108.800 0.328 0.000 2.725 61 G HA2 0.623 4.583 3.960 0.001 0.000 0.288 61 G HA3 0.623 4.583 3.960 0.001 0.000 0.288 61 G C -1.753 173.129 174.900 -0.030 0.000 1.399 61 G CA -0.713 44.434 45.100 0.079 0.000 0.859 61 G HN 0.494 nan 8.290 nan 0.000 0.479 62 M N 1.026 120.504 119.600 -0.202 0.000 2.263 62 M HA 0.458 4.938 4.480 0.001 0.000 0.295 62 M C -0.737 175.534 176.300 -0.048 0.000 1.028 62 M CA -0.569 54.695 55.300 -0.060 0.000 0.921 62 M CB 1.915 34.505 32.600 -0.018 0.000 1.601 62 M HN 0.400 nan 8.290 nan 0.000 0.440 63 S N 5.792 121.486 115.700 -0.009 0.000 2.443 63 S HA 0.262 4.732 4.470 0.001 0.000 0.284 63 S C 0.718 175.317 174.600 -0.002 0.000 1.206 63 S CA -0.381 57.811 58.200 -0.013 0.000 1.074 63 S CB 0.251 63.444 63.200 -0.011 0.000 0.963 63 S HN 0.735 nan 8.310 nan 0.000 0.501 64 L N 2.013 123.229 121.223 -0.011 0.000 2.547 64 L HA 0.259 4.600 4.340 0.001 0.000 0.218 64 L C -0.016 176.855 176.870 0.003 0.000 1.048 64 L CA 0.268 55.108 54.840 -0.000 0.000 0.859 64 L CB 0.020 42.070 42.059 -0.014 0.000 1.128 64 L HN 0.387 nan 8.230 nan 0.000 0.483 65 N N 1.190 119.887 118.700 -0.006 0.000 2.469 65 N HA 0.399 5.140 4.740 0.001 0.000 0.253 65 N C -1.003 174.504 175.510 -0.006 0.000 0.970 65 N CA -0.049 52.999 53.050 -0.003 0.000 0.940 65 N CB 1.339 39.822 38.487 -0.007 0.000 1.128 65 N HN 0.020 nan 8.380 nan 0.000 0.503 66 L N 1.987 123.207 121.223 -0.004 0.000 2.259 66 L HA 0.411 4.751 4.340 0.001 0.000 0.288 66 L C 0.494 177.359 176.870 -0.008 0.000 1.051 66 L CA -0.315 54.519 54.840 -0.009 0.000 0.824 66 L CB 0.610 42.664 42.059 -0.009 0.000 1.206 66 L HN 0.353 nan 8.230 nan 0.000 0.429 67 E N 3.625 123.819 120.200 -0.009 0.000 2.249 67 E HA 0.322 4.672 4.350 0.001 0.000 0.263 67 E C -1.700 174.894 176.600 -0.010 0.000 0.950 67 E CA -1.777 54.620 56.400 -0.006 0.000 0.827 67 E CB 1.790 31.489 29.700 -0.002 0.000 1.220 67 E HN 0.288 nan 8.360 nan 0.000 0.411 68 P HA -0.164 nan 4.420 nan 0.000 0.216 68 P C 0.349 177.644 177.300 -0.008 0.000 1.150 68 P CA 1.328 64.424 63.100 -0.007 0.000 0.837 68 P CB 0.170 31.869 31.700 -0.002 0.000 0.786 69 D N -1.977 118.425 120.400 0.003 0.000 2.433 69 D HA 0.067 4.707 4.640 0.001 0.000 0.211 69 D C 0.113 176.428 176.300 0.025 0.000 1.114 69 D CA -0.147 53.865 54.000 0.020 0.000 0.837 69 D CB -0.585 40.237 40.800 0.038 0.000 0.984 69 D HN 0.363 nan 8.370 nan 0.000 0.505 70 N N -1.585 117.117 118.700 0.003 0.000 3.185 70 N HA 0.374 5.115 4.740 0.001 0.000 0.238 70 N C -2.046 173.458 175.510 -0.010 0.000 1.451 70 N CA -0.970 52.084 53.050 0.006 0.000 0.888 70 N CB 1.580 40.085 38.487 0.029 0.000 1.413 70 N HN -0.213 nan 8.380 nan 0.000 0.511 71 V N -0.000 119.908 119.914 -0.009 0.000 2.487 71 V HA 0.759 4.879 4.120 0.001 0.000 0.298 71 V C 0.492 176.585 176.094 -0.002 0.000 1.028 71 V CA -0.613 61.679 62.300 -0.014 0.000 0.860 71 V CB 1.316 33.122 31.823 -0.030 0.000 0.991 71 V HN 0.892 nan 8.190 nan 0.000 0.427 72 G N 3.795 112.592 108.800 -0.005 0.000 2.356 72 G HA2 0.517 4.477 3.960 0.001 0.000 0.300 72 G HA3 0.517 4.477 3.960 0.001 0.000 0.300 72 G C -0.646 174.249 174.900 -0.009 0.000 1.107 72 G CA -0.152 44.946 45.100 -0.004 0.000 0.960 72 G HN 0.529 nan 8.290 nan 0.000 0.418 73 V N 3.215 123.136 119.914 0.011 0.000 2.513 73 V HA 0.370 4.491 4.120 0.001 0.000 0.299 73 V C -0.015 176.070 176.094 -0.016 0.000 1.035 73 V CA -0.841 61.467 62.300 0.014 0.000 0.889 73 V CB 1.913 33.784 31.823 0.080 0.000 0.988 73 V HN 0.446 nan 8.190 nan 0.000 0.440 74 V N 5.466 125.317 119.914 -0.106 0.000 2.394 74 V HA 0.371 4.491 4.120 0.001 0.000 0.282 74 V C -0.112 175.795 176.094 -0.313 0.000 1.031 74 V CA -0.324 61.859 62.300 -0.195 0.000 0.881 74 V CB 2.052 33.739 31.823 -0.227 0.000 0.982 74 V HN 0.663 nan 8.190 nan 0.000 0.451 75 V N 6.796 126.575 119.914 -0.226 0.000 2.461 75 V HA 0.291 4.412 4.120 0.001 0.000 0.275 75 V C 0.257 176.251 176.094 -0.166 0.000 1.047 75 V CA -0.115 62.059 62.300 -0.209 0.000 0.955 75 V CB 1.011 32.706 31.823 -0.215 0.000 0.988 75 V HN 0.764 nan 8.190 nan 0.000 0.471 76 F N 4.294 124.283 119.950 0.065 0.000 2.833 76 F HA 0.549 5.077 4.527 0.001 0.000 0.327 76 F C 1.207 177.030 175.800 0.038 0.000 1.184 76 F CA 0.368 58.409 58.000 0.068 0.000 1.328 76 F CB 0.190 39.245 39.000 0.091 0.000 1.440 76 F HN 0.774 nan 8.300 nan 0.000 0.569 77 G N 0.052 108.943 108.800 0.150 0.000 2.344 77 G HA2 -0.061 3.900 3.960 0.001 0.000 0.282 77 G HA3 -0.061 3.900 3.960 0.001 0.000 0.282 77 G C -1.708 173.202 174.900 0.017 0.000 1.281 77 G CA -1.117 44.034 45.100 0.085 0.000 0.877 77 G HN 0.017 nan 8.290 nan 0.000 0.494 78 N N 1.292 119.992 118.700 0.001 0.000 2.452 78 N HA 0.167 4.907 4.740 0.001 0.000 0.266 78 N C 0.847 176.313 175.510 -0.073 0.000 1.175 78 N CA 0.371 53.406 53.050 -0.025 0.000 0.945 78 N CB 1.347 39.825 38.487 -0.014 0.000 1.063 78 N HN 0.586 nan 8.380 nan 0.000 0.472 79 D N 3.330 123.675 120.400 -0.091 0.000 2.349 79 D HA -0.124 4.517 4.640 0.001 0.000 0.224 79 D C 1.201 177.431 176.300 -0.116 0.000 1.029 79 D CA 0.562 54.474 54.000 -0.147 0.000 0.879 79 D CB -0.093 40.620 40.800 -0.144 0.000 0.906 79 D HN 0.749 nan 8.370 nan 0.000 0.528 80 K N 0.792 121.148 120.400 -0.073 0.000 2.360 80 K HA -0.099 4.222 4.320 0.001 0.000 0.201 80 K C 1.686 178.255 176.600 -0.051 0.000 1.046 80 K CA 0.746 57.002 56.287 -0.052 0.000 0.945 80 K CB -0.342 32.139 32.500 -0.032 0.000 0.750 80 K HN 0.207 nan 8.250 nan 0.000 0.464 81 L N 1.076 122.259 121.223 -0.067 0.000 2.418 81 L HA 0.171 4.512 4.340 0.001 0.000 0.218 81 L C 0.988 177.824 176.870 -0.058 0.000 1.125 81 L CA 0.091 54.900 54.840 -0.051 0.000 0.835 81 L CB -0.107 41.925 42.059 -0.046 0.000 0.953 81 L HN 0.120 nan 8.230 nan 0.000 0.454 82 I N 0.566 121.072 120.570 -0.108 0.000 2.396 82 I HA 0.181 4.352 4.170 0.001 0.000 0.292 82 I C -0.030 176.066 176.117 -0.036 0.000 0.999 82 I CA -0.118 61.122 61.300 -0.098 0.000 1.310 82 I CB 0.879 38.721 38.000 -0.263 0.000 1.404 82 I HN 0.031 nan 8.210 nan 0.000 0.496 83 K N 4.839 125.247 120.400 0.013 0.000 2.395 83 K HA 0.363 4.683 4.320 0.001 0.000 0.247 83 K C -0.695 175.928 176.600 0.038 0.000 0.973 83 K CA -0.982 55.316 56.287 0.017 0.000 0.828 83 K CB 2.077 34.587 32.500 0.016 0.000 1.272 83 K HN 0.511 nan 8.250 nan 0.000 0.439 84 E N 0.324 120.540 120.200 0.026 0.000 2.529 84 E HA -0.072 4.278 4.350 0.001 0.000 0.259 84 E C 0.552 177.171 176.600 0.032 0.000 0.966 84 E CA 1.571 57.989 56.400 0.029 0.000 0.937 84 E CB 0.106 29.814 29.700 0.014 0.000 0.923 84 E HN 0.804 nan 8.360 nan 0.000 0.468 85 G N 4.126 112.950 108.800 0.039 0.000 2.241 85 G HA2 -0.242 3.719 3.960 0.001 0.000 0.244 85 G HA3 -0.242 3.719 3.960 0.001 0.000 0.244 85 G C 0.008 174.939 174.900 0.051 0.000 0.998 85 G CA 0.157 45.277 45.100 0.034 0.000 0.621 85 G HN 0.652 nan 8.290 nan 0.000 0.519 86 D N 0.282 120.727 120.400 0.075 0.000 2.443 86 D HA 0.364 5.005 4.640 0.001 0.000 0.234 86 D C 0.896 177.248 176.300 0.087 0.000 1.172 86 D CA 0.237 54.296 54.000 0.098 0.000 0.878 86 D CB 0.593 41.487 40.800 0.156 0.000 1.204 86 D HN 0.343 nan 8.370 nan 0.000 0.453 87 I N 1.556 122.165 120.570 0.065 0.000 2.342 87 I HA 0.120 4.291 4.170 0.001 0.000 0.291 87 I C -0.425 175.664 176.117 -0.046 0.000 1.010 87 I CA -0.474 60.836 61.300 0.016 0.000 1.308 87 I CB 1.025 39.033 38.000 0.013 0.000 1.400 87 I HN -0.046 nan 8.210 nan 0.000 0.488 88 V N 6.999 126.837 119.914 -0.127 0.000 2.513 88 V HA 0.438 4.558 4.120 0.001 0.000 0.299 88 V C -0.205 175.774 176.094 -0.193 0.000 1.035 88 V CA -0.917 61.203 62.300 -0.301 0.000 0.889 88 V CB 1.598 33.155 31.823 -0.443 0.000 0.988 88 V HN 0.594 nan 8.190 nan 0.000 0.440 89 K N 3.620 123.907 120.400 -0.189 0.000 2.270 89 K HA 0.579 4.900 4.320 0.001 0.000 0.255 89 K C -0.319 176.217 176.600 -0.105 0.000 0.936 89 K CA -0.862 55.359 56.287 -0.110 0.000 0.809 89 K CB 2.384 34.844 32.500 -0.067 0.000 1.131 89 K HN 0.559 nan 8.250 nan 0.000 0.427 90 R N 0.461 120.916 120.500 -0.075 0.000 2.811 90 R HA -0.019 4.322 4.340 0.001 0.000 0.265 90 R C 0.709 176.989 176.300 -0.033 0.000 1.026 90 R CA 0.445 56.513 56.100 -0.053 0.000 1.142 90 R CB 0.381 30.658 30.300 -0.040 0.000 1.027 90 R HN 0.624 nan 8.270 nan 0.000 0.465 91 T N -0.422 114.121 114.554 -0.018 0.000 2.964 91 T HA 0.167 4.517 4.350 0.001 0.000 0.249 91 T C 1.093 175.793 174.700 0.001 0.000 1.000 91 T CA 0.654 62.753 62.100 -0.002 0.000 0.992 91 T CB 0.427 69.304 68.868 0.015 0.000 1.087 91 T HN 0.906 nan 8.240 nan 0.000 0.489 92 G N 1.468 110.268 108.800 -0.001 0.000 2.225 92 G HA2 -0.106 3.855 3.960 0.001 0.000 0.254 92 G HA3 -0.106 3.855 3.960 0.001 0.000 0.254 92 G C 0.202 175.106 174.900 0.007 0.000 0.988 92 G CA 0.081 45.181 45.100 0.000 0.000 0.625 92 G HN 0.931 nan 8.290 nan 0.000 0.527 93 A N 1.104 123.932 122.820 0.013 0.000 2.318 93 A HA 0.739 5.059 4.320 0.001 0.000 0.324 93 A C 0.446 178.047 177.584 0.029 0.000 1.170 93 A CA -0.694 51.354 52.037 0.019 0.000 0.810 93 A CB 0.761 19.772 19.000 0.018 0.000 1.198 93 A HN 0.582 nan 8.150 nan 0.000 0.484 94 I N 2.544 123.129 120.570 0.026 0.000 2.775 94 I HA -0.044 4.126 4.170 0.001 0.000 0.290 94 I C 0.762 176.904 176.117 0.042 0.000 1.203 94 I CA 0.324 61.644 61.300 0.034 0.000 1.433 94 I CB 0.035 38.048 38.000 0.023 0.000 1.354 94 I HN 0.385 nan 8.210 nan 0.000 0.579 95 V N 7.131 127.084 119.914 0.065 0.000 2.678 95 V HA -0.120 4.000 4.120 0.001 0.000 0.304 95 V C 0.311 176.423 176.094 0.030 0.000 1.086 95 V CA 0.449 62.792 62.300 0.072 0.000 1.246 95 V CB -0.525 31.375 31.823 0.128 0.000 0.861 95 V HN 0.960 nan 8.190 nan 0.000 0.491 96 D N 3.681 124.089 120.400 0.014 0.000 2.636 96 D HA 0.764 5.405 4.640 0.001 0.000 0.275 96 D C -0.624 175.664 176.300 -0.019 0.000 1.130 96 D CA -0.592 53.408 54.000 -0.001 0.000 1.031 96 D CB 2.123 42.925 40.800 0.003 0.000 1.451 96 D HN 0.559 nan 8.370 nan 0.000 0.505 97 V N -5.004 114.898 119.914 -0.020 0.000 3.049 97 V HA 0.748 4.869 4.120 0.001 0.000 0.309 97 V C -2.896 173.177 176.094 -0.035 0.000 1.148 97 V CA -2.164 60.117 62.300 -0.031 0.000 0.990 97 V CB 1.892 33.697 31.823 -0.030 0.000 1.039 97 V HN 0.664 nan 8.190 nan 0.000 0.430 98 P HA 0.360 nan 4.420 nan 0.000 0.269 98 P C -0.792 176.454 177.300 -0.091 0.000 1.215 98 P CA 0.107 63.168 63.100 -0.065 0.000 0.780 98 P CB 1.741 33.406 31.700 -0.059 0.000 0.898 99 V N 0.794 120.614 119.914 -0.155 0.000 3.147 99 V HA 0.798 4.918 4.120 0.001 0.000 0.306 99 V C 0.138 175.921 176.094 -0.519 0.000 1.209 99 V CA 0.423 62.572 62.300 -0.252 0.000 1.023 99 V CB 2.019 33.746 31.823 -0.161 0.000 1.059 99 V HN 1.115 nan 8.190 nan 0.000 0.435 100 G N 2.830 111.097 108.800 -0.888 0.000 2.354 100 G HA2 -0.011 3.949 3.960 0.001 0.000 0.582 100 G HA3 -0.011 3.949 3.960 0.001 0.000 0.582 100 G C -0.055 174.440 174.900 -0.675 0.000 1.316 100 G CA 0.037 44.333 45.100 -1.339 0.000 0.995 100 G HN 0.690 nan 8.290 nan 0.000 0.573 101 E N -0.114 119.810 120.200 -0.460 0.000 2.338 101 E HA -0.012 4.339 4.350 0.001 0.000 0.197 101 E C 1.834 178.419 176.600 -0.025 0.000 1.007 101 E CA 1.250 57.599 56.400 -0.085 0.000 0.849 101 E CB 0.061 29.764 29.700 0.006 0.000 0.774 101 E HN 0.557 nan 8.360 nan 0.000 0.506 102 E N 0.204 120.351 120.200 -0.089 0.000 2.472 102 E HA -0.104 4.247 4.350 0.001 0.000 0.200 102 E C 1.397 177.987 176.600 -0.016 0.000 1.046 102 E CA 0.451 56.826 56.400 -0.041 0.000 0.871 102 E CB 0.062 29.724 29.700 -0.063 0.000 0.806 102 E HN 0.249 nan 8.360 nan 0.000 0.533 103 L N 0.013 121.229 121.223 -0.011 0.000 2.446 103 L HA 0.095 4.436 4.340 0.001 0.000 0.219 103 L C 0.350 177.260 176.870 0.066 0.000 1.116 103 L CA -0.088 54.764 54.840 0.019 0.000 0.844 103 L CB 0.079 42.146 42.059 0.012 0.000 0.970 103 L HN 0.092 nan 8.230 nan 0.000 0.457 104 L N -0.048 121.238 121.223 0.105 0.000 2.453 104 L HA 0.189 4.529 4.340 0.001 0.000 0.272 104 L C 1.446 178.361 176.870 0.075 0.000 1.182 104 L CA 0.632 55.551 54.840 0.131 0.000 0.858 104 L CB 0.233 42.417 42.059 0.210 0.000 1.120 104 L HN 0.296 nan 8.230 nan 0.000 0.474 105 G N 1.385 110.211 108.800 0.043 0.000 2.184 105 G HA2 -0.225 3.735 3.960 0.001 0.000 0.264 105 G HA3 -0.225 3.735 3.960 0.001 0.000 0.264 105 G C 0.316 175.217 174.900 0.003 0.000 0.975 105 G CA -0.272 44.831 45.100 0.005 0.000 0.642 105 G HN 0.454 nan 8.290 nan 0.000 0.536 106 R N -0.214 120.296 120.500 0.017 0.000 2.540 106 R HA 0.665 5.006 4.340 0.001 0.000 0.287 106 R C -0.109 176.199 176.300 0.014 0.000 0.980 106 R CA -0.823 55.284 56.100 0.012 0.000 0.966 106 R CB 1.599 31.906 30.300 0.013 0.000 1.106 106 R HN 0.206 nan 8.270 nan 0.000 0.480 107 V N 3.146 123.066 119.914 0.010 0.000 2.370 107 V HA 0.387 4.508 4.120 0.001 0.000 0.283 107 V C 0.384 176.488 176.094 0.017 0.000 1.023 107 V CA -0.744 61.567 62.300 0.018 0.000 0.857 107 V CB 1.323 33.154 31.823 0.013 0.000 0.985 107 V HN 0.596 nan 8.190 nan 0.000 0.443 108 V N 1.546 121.473 119.914 0.022 0.000 3.113 108 V HA 0.855 4.976 4.120 0.001 0.000 0.316 108 V C -0.397 175.708 176.094 0.017 0.000 1.125 108 V CA -0.800 61.509 62.300 0.015 0.000 1.026 108 V CB 2.165 33.992 31.823 0.008 0.000 1.080 108 V HN 0.786 nan 8.190 nan 0.000 0.444 109 D N 1.322 121.727 120.400 0.009 0.000 2.511 109 D HA 0.564 5.204 4.640 0.001 0.000 0.276 109 D C 0.998 177.293 176.300 -0.009 0.000 1.220 109 D CA -0.076 53.929 54.000 0.008 0.000 1.077 109 D CB 1.125 41.930 40.800 0.009 0.000 1.126 109 D HN 0.817 nan 8.370 nan 0.000 0.583 110 A N -0.884 121.924 122.820 -0.021 0.000 2.168 110 A HA 0.056 4.377 4.320 0.001 0.000 0.215 110 A C 2.016 179.539 177.584 -0.103 0.000 1.152 110 A CA 0.576 52.585 52.037 -0.047 0.000 0.716 110 A CB -0.774 18.203 19.000 -0.038 0.000 0.794 110 A HN 0.497 nan 8.150 nan 0.000 0.465 111 L N -1.702 119.452 121.223 -0.115 0.000 2.607 111 L HA 0.285 4.625 4.340 0.001 0.000 0.228 111 L C 1.552 178.380 176.870 -0.069 0.000 1.123 111 L CA 0.561 55.321 54.840 -0.133 0.000 0.890 111 L CB 0.138 42.106 42.059 -0.152 0.000 1.103 111 L HN 0.495 nan 8.230 nan 0.000 0.468 112 G N -0.247 108.526 108.800 -0.044 0.000 2.157 112 G HA2 -0.236 3.724 3.960 0.001 0.000 0.239 112 G HA3 -0.236 3.724 3.960 0.001 0.000 0.239 112 G C -0.010 174.878 174.900 -0.020 0.000 0.982 112 G CA -0.430 44.654 45.100 -0.028 0.000 0.650 112 G HN 0.336 nan 8.290 nan 0.000 0.527 113 N N 1.136 119.826 118.700 -0.016 0.000 2.520 113 N HA 0.513 5.253 4.740 0.001 0.000 0.273 113 N C 0.682 176.191 175.510 -0.001 0.000 1.155 113 N CA 0.619 53.665 53.050 -0.007 0.000 0.967 113 N CB 1.321 39.807 38.487 -0.001 0.000 1.092 113 N HN 0.735 nan 8.380 nan 0.000 0.457 114 A N 2.049 124.868 122.820 -0.000 0.000 2.546 114 A HA 0.162 4.482 4.320 0.001 0.000 0.243 114 A C 1.255 178.843 177.584 0.006 0.000 1.063 114 A CA 0.007 52.045 52.037 0.003 0.000 0.757 114 A CB -0.535 18.466 19.000 0.001 0.000 0.991 114 A HN 0.826 nan 8.150 nan 0.000 0.503 115 I N -0.927 119.648 120.570 0.008 0.000 4.102 115 I HA 0.258 4.429 4.170 0.001 0.000 0.325 115 I C 0.228 176.349 176.117 0.008 0.000 1.471 115 I CA -0.063 61.243 61.300 0.010 0.000 1.133 115 I CB 0.557 38.566 38.000 0.015 0.000 1.184 115 I HN 0.431 nan 8.210 nan 0.000 0.451 116 D N 1.072 121.475 120.400 0.005 0.000 2.328 116 D HA 0.165 4.806 4.640 0.001 0.000 0.221 116 D C 1.699 177.999 176.300 -0.000 0.000 1.072 116 D CA 0.437 54.438 54.000 0.001 0.000 0.850 116 D CB 0.038 40.836 40.800 -0.002 0.000 0.922 116 D HN 0.421 nan 8.370 nan 0.000 0.516 117 G N 0.935 109.736 108.800 0.002 0.000 2.166 117 G HA2 -0.398 3.562 3.960 0.001 0.000 0.260 117 G HA3 -0.398 3.562 3.960 0.001 0.000 0.260 117 G C 0.796 175.696 174.900 -0.000 0.000 0.986 117 G CA 0.548 45.649 45.100 0.001 0.000 0.683 117 G HN 0.478 nan 8.290 nan 0.000 0.527 118 K N 0.335 120.734 120.400 -0.001 0.000 2.469 118 K HA 0.455 4.776 4.320 0.001 0.000 0.201 118 K C 1.413 178.013 176.600 -0.001 0.000 1.028 118 K CA 0.376 56.662 56.287 -0.001 0.000 1.170 118 K CB 0.252 32.750 32.500 -0.002 0.000 0.874 118 K HN 1.364 nan 8.250 nan 0.000 0.507 119 G N 2.192 110.992 108.800 -0.000 0.000 2.685 119 G HA2 -0.184 3.776 3.960 0.001 0.000 0.387 119 G HA3 -0.184 3.776 3.960 0.001 0.000 0.387 119 G C -2.742 172.157 174.900 -0.002 0.000 1.324 119 G CA -1.328 43.772 45.100 -0.000 0.000 0.878 119 G HN 0.004 nan 8.290 nan 0.000 0.527 120 P HA 0.356 nan 4.420 nan 0.000 0.266 120 P C 0.523 177.817 177.300 -0.009 0.000 1.195 120 P CA -0.351 62.746 63.100 -0.005 0.000 0.768 120 P CB 0.330 32.027 31.700 -0.006 0.000 0.838 121 I N 1.825 122.388 120.570 -0.013 0.000 2.529 121 I HA 0.110 4.281 4.170 0.001 0.000 0.284 121 I C 1.537 177.639 176.117 -0.025 0.000 1.082 121 I CA 0.294 61.583 61.300 -0.019 0.000 1.406 121 I CB 0.296 38.281 38.000 -0.026 0.000 1.405 121 I HN 0.494 nan 8.210 nan 0.000 0.548 122 G N 4.320 113.103 108.800 -0.028 0.000 3.639 122 G HA2 0.121 4.082 3.960 0.001 0.000 0.279 122 G HA3 0.121 4.082 3.960 0.001 0.000 0.279 122 G C 0.620 175.492 174.900 -0.047 0.000 1.312 122 G CA -0.245 44.837 45.100 -0.030 0.000 1.355 122 G HN 0.707 nan 8.290 nan 0.000 0.595 123 S N -0.554 115.110 115.700 -0.059 0.000 2.549 123 S HA 0.228 4.699 4.470 0.001 0.000 0.283 123 S C 0.816 175.370 174.600 -0.077 0.000 1.320 123 S CA -0.118 58.028 58.200 -0.091 0.000 1.058 123 S CB 1.604 64.740 63.200 -0.106 0.000 0.882 123 S HN 0.281 nan 8.310 nan 0.000 0.498 124 K N 1.677 122.022 120.400 -0.092 0.000 2.373 124 K HA 0.474 4.795 4.320 0.001 0.000 0.202 124 K C 0.098 176.661 176.600 -0.062 0.000 1.025 124 K CA 0.218 56.467 56.287 -0.064 0.000 1.115 124 K CB 0.785 33.254 32.500 -0.051 0.000 0.858 124 K HN 0.766 nan 8.250 nan 0.000 0.525 125 A N 0.592 123.359 122.820 -0.089 0.000 2.609 125 A HA 0.734 5.055 4.320 0.001 0.000 0.291 125 A C -1.276 176.263 177.584 -0.074 0.000 1.096 125 A CA -0.877 51.119 52.037 -0.068 0.000 0.684 125 A CB 1.358 20.326 19.000 -0.053 0.000 1.282 125 A HN 0.110 nan 8.150 nan 0.000 0.412 126 R N -0.357 120.119 120.500 -0.040 0.000 2.799 126 R HA 0.787 5.128 4.340 0.001 0.000 0.270 126 R C -1.081 175.214 176.300 -0.008 0.000 1.010 126 R CA -0.866 55.216 56.100 -0.030 0.000 0.916 126 R CB 2.640 32.927 30.300 -0.021 0.000 1.228 126 R HN 0.719 nan 8.270 nan 0.000 0.469 127 R N 0.917 121.416 120.500 -0.003 0.000 2.535 127 R HA 0.280 4.620 4.340 0.001 0.000 0.274 127 R C -0.964 175.343 176.300 0.012 0.000 1.090 127 R CA -0.832 55.276 56.100 0.013 0.000 0.930 127 R CB 2.147 32.463 30.300 0.027 0.000 1.223 127 R HN 0.508 nan 8.270 nan 0.000 0.441 128 R N 1.172 121.680 120.500 0.014 0.000 2.623 128 R HA -0.005 4.336 4.340 0.001 0.000 0.271 128 R C 1.468 177.775 176.300 0.012 0.000 1.043 128 R CA 0.118 56.224 56.100 0.011 0.000 1.083 128 R CB 0.650 30.955 30.300 0.009 0.000 0.974 128 R HN 0.482 nan 8.270 nan 0.000 0.436 129 V N 0.174 120.090 119.914 0.004 0.000 3.129 129 V HA 0.110 4.230 4.120 0.001 0.000 0.259 129 V C 1.183 177.261 176.094 -0.026 0.000 1.116 129 V CA 1.588 63.895 62.300 0.012 0.000 1.127 129 V CB 0.157 31.989 31.823 0.014 0.000 0.742 129 V HN 0.862 nan 8.190 nan 0.000 0.474 130 G N 0.279 109.044 108.800 -0.058 0.000 3.605 130 G HA2 0.393 4.354 3.960 0.001 0.000 0.277 130 G HA3 0.393 4.354 3.960 0.001 0.000 0.277 130 G C 0.290 175.160 174.900 -0.050 0.000 1.093 130 G CA -0.466 44.570 45.100 -0.107 0.000 0.821 130 G HN 0.449 nan 8.290 nan 0.000 0.532 131 L N 0.921 122.136 121.223 -0.013 0.000 2.490 131 L HA 0.145 4.486 4.340 0.001 0.000 0.274 131 L C 0.940 177.812 176.870 0.003 0.000 1.201 131 L CA -0.182 54.660 54.840 0.003 0.000 0.869 131 L CB 0.716 42.785 42.059 0.017 0.000 1.123 131 L HN 0.066 nan 8.230 nan 0.000 0.484 132 K N 2.559 122.964 120.400 0.008 0.000 2.436 132 K HA 0.285 4.606 4.320 0.001 0.000 0.275 132 K C 0.019 176.625 176.600 0.009 0.000 0.999 132 K CA -0.328 55.967 56.287 0.013 0.000 0.980 132 K CB 0.784 33.297 32.500 0.022 0.000 0.919 132 K HN 0.665 nan 8.250 nan 0.000 0.484 133 A N 5.380 128.204 122.820 0.007 0.000 2.483 133 A HA 0.223 4.544 4.320 0.001 0.000 0.238 133 A C -2.132 175.441 177.584 -0.019 0.000 1.070 133 A CA -1.102 50.933 52.037 -0.004 0.000 0.770 133 A CB -0.449 18.549 19.000 -0.003 0.000 1.008 133 A HN 0.611 nan 8.150 nan 0.000 0.497 134 P HA 0.188 nan 4.420 nan 0.000 0.264 134 P C 0.765 178.014 177.300 -0.084 0.000 1.183 134 P CA 0.672 63.717 63.100 -0.092 0.000 0.763 134 P CB 0.529 32.140 31.700 -0.149 0.000 0.807 135 G N 1.623 110.370 108.800 -0.088 0.000 2.485 135 G HA2 0.108 4.069 3.960 0.001 0.000 0.260 135 G HA3 0.108 4.069 3.960 0.001 0.000 0.260 135 G C 1.076 175.928 174.900 -0.079 0.000 1.459 135 G CA -0.566 44.498 45.100 -0.061 0.000 1.060 135 G HN 0.419 nan 8.290 nan 0.000 0.546 136 I N -0.079 120.460 120.570 -0.052 0.000 2.252 136 I HA -0.110 4.060 4.170 0.001 0.000 0.245 136 I C 2.511 178.589 176.117 -0.065 0.000 1.102 136 I CA 0.550 61.822 61.300 -0.046 0.000 1.385 136 I CB -0.119 37.869 38.000 -0.021 0.000 1.064 136 I HN 0.213 nan 8.210 nan 0.000 0.414 137 I N 1.040 121.570 120.570 -0.068 0.000 2.252 137 I HA -0.128 4.042 4.170 0.001 0.000 0.245 137 I C -0.284 175.750 176.117 -0.139 0.000 1.102 137 I CA 1.561 62.829 61.300 -0.054 0.000 1.385 137 I CB -2.661 35.344 38.000 0.008 0.000 1.064 137 I HN 0.152 nan 8.210 nan 0.000 0.414 138 P HA -0.044 nan 4.420 nan 0.000 0.239 138 P C 0.335 177.381 177.300 -0.423 0.000 1.184 138 P CA 0.848 63.432 63.100 -0.859 0.000 0.760 138 P CB 0.065 30.906 31.700 -1.431 0.000 0.884 139 R N -0.478 119.897 120.500 -0.209 0.000 2.691 139 R HA 0.719 5.059 4.340 0.001 0.000 0.259 139 R C -0.149 176.125 176.300 -0.044 0.000 1.048 139 R CA -0.885 55.148 56.100 -0.111 0.000 1.086 139 R CB 1.296 31.544 30.300 -0.086 0.000 1.166 139 R HN -0.008 nan 8.270 nan 0.000 0.526 140 I N -0.681 119.878 120.570 -0.019 0.000 2.894 140 I HA 0.214 4.385 4.170 0.001 0.000 0.302 140 I C -0.557 175.560 176.117 0.000 0.000 1.188 140 I CA -0.651 60.649 61.300 -0.001 0.000 1.014 140 I CB 2.547 40.556 38.000 0.016 0.000 1.242 140 I HN 0.559 nan 8.210 nan 0.000 0.430 141 S N 2.909 118.611 115.700 0.002 0.000 2.573 141 S HA 0.044 4.515 4.470 0.001 0.000 0.297 141 S C -0.255 174.347 174.600 0.004 0.000 1.280 141 S CA -0.413 57.789 58.200 0.002 0.000 1.061 141 S CB 0.310 63.512 63.200 0.003 0.000 0.812 141 S HN 0.336 nan 8.310 nan 0.000 0.500 142 V N 5.372 125.287 119.914 0.003 0.000 2.493 142 V HA 0.062 4.183 4.120 0.001 0.000 0.292 142 V C 1.001 177.093 176.094 -0.005 0.000 1.016 142 V CA 0.813 63.114 62.300 0.002 0.000 1.097 142 V CB 0.172 31.995 31.823 0.000 0.000 0.947 142 V HN 0.890 nan 8.190 nan 0.000 0.479 143 R N 2.151 122.645 120.500 -0.010 0.000 2.591 143 R HA 0.253 4.594 4.340 0.001 0.000 0.288 143 R C -0.088 176.192 176.300 -0.035 0.000 0.947 143 R CA -0.315 55.775 56.100 -0.017 0.000 1.085 143 R CB 0.576 30.870 30.300 -0.011 0.000 1.618 143 R HN 0.692 nan 8.270 nan 0.000 0.524 144 E N 2.856 123.025 120.200 -0.051 0.000 2.175 144 E HA 0.285 4.635 4.350 0.001 0.000 0.278 144 E C -2.576 173.961 176.600 -0.106 0.000 0.969 144 E CA -2.484 53.859 56.400 -0.094 0.000 0.796 144 E CB 1.114 30.730 29.700 -0.141 0.000 1.104 144 E HN -0.166 nan 8.360 nan 0.000 0.395 145 P HA -0.062 nan 4.420 nan 0.000 0.265 145 P C -0.649 176.557 177.300 -0.156 0.000 1.193 145 P CA 0.184 63.218 63.100 -0.109 0.000 0.765 145 P CB 0.410 32.050 31.700 -0.100 0.000 0.823 146 M N 3.834 123.369 119.600 -0.109 0.000 2.036 146 M HA 0.153 4.633 4.480 0.001 0.000 0.337 146 M C -0.757 175.508 176.300 -0.058 0.000 1.012 146 M CA -0.422 54.811 55.300 -0.111 0.000 0.962 146 M CB 0.496 33.053 32.600 -0.071 0.000 1.423 146 M HN 0.306 nan 8.290 nan 0.000 0.405 147 Q N 2.691 122.463 119.800 -0.047 0.000 2.294 147 Q HA 0.235 4.576 4.340 0.001 0.000 0.257 147 Q C 1.174 177.217 176.000 0.071 0.000 0.955 147 Q CA 0.087 55.912 55.803 0.037 0.000 0.936 147 Q CB 1.140 29.952 28.738 0.124 0.000 1.188 147 Q HN 0.774 nan 8.270 nan 0.000 0.420 148 T N -1.694 112.888 114.554 0.048 0.000 3.035 148 T HA 0.138 4.488 4.350 0.001 0.000 0.259 148 T C 1.216 175.944 174.700 0.047 0.000 1.078 148 T CA 0.583 62.710 62.100 0.045 0.000 1.132 148 T CB 0.134 69.018 68.868 0.027 0.000 0.900 148 T HN 0.822 nan 8.240 nan 0.000 0.480 149 G N 1.444 110.271 108.800 0.045 0.000 2.159 149 G HA2 -0.193 3.768 3.960 0.001 0.000 0.256 149 G HA3 -0.193 3.768 3.960 0.001 0.000 0.256 149 G C -0.026 174.882 174.900 0.013 0.000 0.977 149 G CA 0.094 45.211 45.100 0.028 0.000 0.652 149 G HN 0.658 nan 8.290 nan 0.000 0.531 150 I N 0.692 121.270 120.570 0.013 0.000 2.330 150 I HA 0.278 4.449 4.170 0.001 0.000 0.289 150 I C 1.507 177.629 176.117 0.008 0.000 1.001 150 I CA -0.856 60.446 61.300 0.004 0.000 1.193 150 I CB 1.382 39.382 38.000 0.001 0.000 1.345 150 I HN -0.011 nan 8.210 nan 0.000 0.461 151 K N 4.273 124.677 120.400 0.007 0.000 2.020 151 K HA -0.222 4.098 4.320 0.001 0.000 0.212 151 K C 2.109 178.715 176.600 0.011 0.000 1.050 151 K CA 1.843 58.137 56.287 0.012 0.000 0.929 151 K CB -0.196 32.312 32.500 0.013 0.000 0.714 151 K HN 0.789 nan 8.250 nan 0.000 0.443 152 A N 1.035 123.859 122.820 0.007 0.000 1.908 152 A HA -0.157 4.164 4.320 0.001 0.000 0.218 152 A C 2.418 180.009 177.584 0.013 0.000 1.181 152 A CA 1.740 53.782 52.037 0.009 0.000 0.627 152 A CB -0.686 18.317 19.000 0.005 0.000 0.818 152 A HN 0.102 nan 8.150 nan 0.000 0.445 153 V N 0.165 120.086 119.914 0.013 0.000 2.302 153 V HA -0.162 3.959 4.120 0.001 0.000 0.243 153 V C 2.060 178.163 176.094 0.015 0.000 1.036 153 V CA 2.130 64.439 62.300 0.016 0.000 1.020 153 V CB -0.753 31.079 31.823 0.015 0.000 0.657 153 V HN 0.460 nan 8.190 nan 0.000 0.453 154 D N 0.264 120.673 120.400 0.015 0.000 2.219 154 D HA -0.095 4.545 4.640 0.001 0.000 0.205 154 D C 2.362 178.670 176.300 0.013 0.000 0.970 154 D CA 1.601 55.609 54.000 0.014 0.000 0.851 154 D CB -0.034 40.778 40.800 0.019 0.000 0.943 154 D HN 0.604 nan 8.370 nan 0.000 0.488 155 S N -0.762 114.947 115.700 0.014 0.000 2.412 155 S HA 0.080 4.550 4.470 0.001 0.000 0.223 155 S C 2.033 176.640 174.600 0.012 0.000 1.048 155 S CA 0.071 58.279 58.200 0.013 0.000 0.954 155 S CB -0.272 62.936 63.200 0.013 0.000 0.840 155 S HN 0.157 nan 8.310 nan 0.000 0.503 156 L N 1.467 122.698 121.223 0.014 0.000 2.221 156 L HA 0.290 4.630 4.340 0.001 0.000 0.202 156 L C 0.830 177.711 176.870 0.019 0.000 1.074 156 L CA 0.485 55.335 54.840 0.017 0.000 0.795 156 L CB 0.113 42.185 42.059 0.021 0.000 0.960 156 L HN 0.397 nan 8.230 nan 0.000 0.458 157 V N -2.667 117.259 119.914 0.020 0.000 2.454 157 V HA 0.405 4.526 4.120 0.001 0.000 0.255 157 V C -2.605 173.499 176.094 0.015 0.000 1.009 157 V CA -1.855 60.458 62.300 0.021 0.000 1.149 157 V CB -0.246 31.595 31.823 0.029 0.000 1.418 157 V HN -0.063 nan 8.190 nan 0.000 0.567 158 P HA 0.334 nan 4.420 nan 0.000 0.269 158 P C -0.323 176.978 177.300 0.002 0.000 1.209 158 P CA 0.343 63.446 63.100 0.005 0.000 0.776 158 P CB 1.569 33.270 31.700 0.002 0.000 0.876 159 I N 1.179 121.747 120.570 -0.003 0.000 2.474 159 I HA 0.543 4.714 4.170 0.001 0.000 0.294 159 I C 0.915 177.020 176.117 -0.021 0.000 1.005 159 I CA -0.572 60.723 61.300 -0.007 0.000 1.113 159 I CB 2.201 40.199 38.000 -0.005 0.000 1.289 159 I HN 0.339 nan 8.210 nan 0.000 0.436 160 G N 3.904 112.692 108.800 -0.020 0.000 2.511 160 G HA2 0.570 4.530 3.960 0.001 0.000 0.318 160 G HA3 0.570 4.530 3.960 0.001 0.000 0.318 160 G C -0.741 174.143 174.900 -0.027 0.000 1.210 160 G CA -0.899 44.181 45.100 -0.033 0.000 0.969 160 G HN 0.513 nan 8.290 nan 0.000 0.484 161 R N -0.199 120.277 120.500 -0.039 0.000 2.458 161 R HA 0.384 4.725 4.340 0.001 0.000 0.303 161 R C 1.270 177.588 176.300 0.030 0.000 1.013 161 R CA 1.472 57.568 56.100 -0.007 0.000 1.026 161 R CB 0.544 30.827 30.300 -0.029 0.000 0.948 161 R HN 1.151 nan 8.270 nan 0.000 0.417 162 G N 1.760 110.583 108.800 0.037 0.000 2.194 162 G HA2 -0.304 3.656 3.960 0.001 0.000 0.236 162 G HA3 -0.304 3.656 3.960 0.001 0.000 0.236 162 G C 0.190 175.101 174.900 0.018 0.000 0.987 162 G CA -0.050 45.069 45.100 0.032 0.000 0.635 162 G HN 0.581 nan 8.290 nan 0.000 0.520 163 Q N 0.049 119.856 119.800 0.011 0.000 2.382 163 Q HA 0.650 4.990 4.340 0.001 0.000 0.229 163 Q C -0.041 175.965 176.000 0.011 0.000 1.006 163 Q CA -0.407 55.401 55.803 0.008 0.000 0.916 163 Q CB 0.403 29.143 28.738 0.003 0.000 1.235 163 Q HN 0.336 nan 8.270 nan 0.000 0.512 164 R N 1.743 122.250 120.500 0.012 0.000 2.437 164 R HA 0.351 4.692 4.340 0.001 0.000 0.310 164 R C -1.422 174.885 176.300 0.011 0.000 0.955 164 R CA -0.502 55.607 56.100 0.014 0.000 0.851 164 R CB 1.744 32.053 30.300 0.015 0.000 1.161 164 R HN 0.516 nan 8.270 nan 0.000 0.446 165 E N 2.606 122.813 120.200 0.011 0.000 2.241 165 E HA 0.304 4.655 4.350 0.001 0.000 0.263 165 E C -1.468 175.140 176.600 0.013 0.000 0.882 165 E CA -0.901 55.506 56.400 0.012 0.000 0.769 165 E CB 1.110 30.818 29.700 0.013 0.000 1.185 165 E HN 0.394 nan 8.360 nan 0.000 0.415 166 L N 5.339 126.570 121.223 0.013 0.000 2.397 166 L HA 0.481 4.822 4.340 0.001 0.000 0.271 166 L C -1.066 175.821 176.870 0.028 0.000 1.148 166 L CA 0.134 54.980 54.840 0.010 0.000 0.825 166 L CB 0.671 42.730 42.059 0.001 0.000 1.117 166 L HN 0.622 nan 8.230 nan 0.000 0.456 167 I N 6.708 127.293 120.570 0.026 0.000 2.330 167 I HA 0.435 4.605 4.170 0.001 0.000 0.289 167 I C -0.360 175.790 176.117 0.056 0.000 1.001 167 I CA -0.133 61.192 61.300 0.043 0.000 1.193 167 I CB 1.281 39.299 38.000 0.031 0.000 1.345 167 I HN 0.564 nan 8.210 nan 0.000 0.461 168 I N 5.240 125.874 120.570 0.106 0.000 2.686 168 I HA 0.893 5.063 4.170 0.001 0.000 0.295 168 I C -0.420 175.842 176.117 0.241 0.000 1.114 168 I CA 0.018 61.408 61.300 0.151 0.000 1.038 168 I CB 2.041 40.124 38.000 0.139 0.000 1.238 168 I HN 0.709 nan 8.210 nan 0.000 0.420 169 G N 4.803 113.719 108.800 0.192 0.000 2.316 169 G HA2 0.170 4.130 3.960 0.001 0.000 0.296 169 G HA3 0.170 4.130 3.960 0.001 0.000 0.296 169 G C -1.952 172.997 174.900 0.082 0.000 1.399 169 G CA -0.819 44.370 45.100 0.148 0.000 0.833 169 G HN 0.509 nan 8.290 nan 0.000 0.565 170 D N 0.366 120.791 120.400 0.041 0.000 2.354 170 D HA 0.305 4.945 4.640 0.001 0.000 0.238 170 D C 1.372 177.655 176.300 -0.028 0.000 1.250 170 D CA -0.019 53.991 54.000 0.017 0.000 0.911 170 D CB 0.457 41.260 40.800 0.005 0.000 1.163 170 D HN 0.683 nan 8.370 nan 0.000 0.456 171 R N 0.842 121.330 120.500 -0.019 0.000 2.638 171 R HA -0.075 4.266 4.340 0.001 0.000 0.268 171 R C -0.212 176.024 176.300 -0.107 0.000 1.006 171 R CA 0.029 56.106 56.100 -0.039 0.000 1.088 171 R CB 0.122 30.413 30.300 -0.014 0.000 0.950 171 R HN 0.283 nan 8.270 nan 0.000 0.419 172 Q N 0.076 119.800 119.800 -0.126 0.000 2.494 172 Q HA -0.157 4.184 4.340 0.001 0.000 0.272 172 Q C 0.448 176.175 176.000 -0.455 0.000 1.145 172 Q CA 1.735 57.404 55.803 -0.225 0.000 0.943 172 Q CB -1.892 26.734 28.738 -0.186 0.000 1.338 172 Q HN 1.007 nan 8.270 nan 0.000 0.492 173 T N -5.053 109.293 114.554 -0.346 0.000 3.044 173 T HA 0.415 4.765 4.350 0.001 0.000 0.250 173 T C 1.194 175.762 174.700 -0.220 0.000 1.081 173 T CA 0.902 62.753 62.100 -0.416 0.000 1.040 173 T CB 0.968 69.690 68.868 -0.243 0.000 0.962 173 T HN 0.845 nan 8.240 nan 0.000 0.506 174 G N 1.406 110.128 108.800 -0.130 0.000 2.157 174 G HA2 -0.159 3.802 3.960 0.001 0.000 0.118 174 G HA3 -0.159 3.802 3.960 0.001 0.000 0.118 174 G C 0.598 175.495 174.900 -0.005 0.000 1.032 174 G CA 0.074 45.164 45.100 -0.017 0.000 0.697 174 G HN 0.443 nan 8.290 nan 0.000 0.495 175 K N -0.272 120.121 120.400 -0.011 0.000 1.984 175 K HA -0.033 4.287 4.320 0.001 0.000 0.209 175 K C 2.535 179.159 176.600 0.040 0.000 1.046 175 K CA 1.793 58.089 56.287 0.014 0.000 0.934 175 K CB -0.350 32.160 32.500 0.016 0.000 0.717 175 K HN 0.237 nan 8.250 nan 0.000 0.438 176 T N 1.294 115.882 114.554 0.056 0.000 2.737 176 T HA -0.141 4.210 4.350 0.001 0.000 0.269 176 T C 2.087 176.831 174.700 0.074 0.000 1.040 176 T CA 1.612 63.772 62.100 0.100 0.000 1.142 176 T CB -0.211 68.722 68.868 0.108 0.000 0.861 176 T HN 0.161 nan 8.240 nan 0.000 0.456 177 S N 1.024 116.745 115.700 0.036 0.000 2.356 177 S HA -0.045 4.425 4.470 0.001 0.000 0.223 177 S C 2.050 176.649 174.600 -0.001 0.000 1.032 177 S CA 0.720 58.921 58.200 0.001 0.000 1.005 177 S CB -0.342 62.834 63.200 -0.040 0.000 0.867 177 S HN 0.338 nan 8.310 nan 0.000 0.449 178 I N 2.159 122.735 120.570 0.009 0.000 2.151 178 I HA -0.242 3.928 4.170 0.001 0.000 0.243 178 I C 2.673 178.812 176.117 0.035 0.000 1.080 178 I CA 1.562 62.871 61.300 0.015 0.000 1.339 178 I CB -1.785 36.227 38.000 0.020 0.000 1.039 178 I HN 0.250 nan 8.210 nan 0.000 0.409 179 A N 0.942 123.799 122.820 0.060 0.000 1.873 179 A HA -0.147 4.174 4.320 0.001 0.000 0.215 179 A C 2.225 179.863 177.584 0.090 0.000 1.186 179 A CA 1.191 53.281 52.037 0.090 0.000 0.616 179 A CB -0.563 18.528 19.000 0.152 0.000 0.823 179 A HN 0.254 nan 8.150 nan 0.000 0.442 180 I N 0.701 121.317 120.570 0.077 0.000 2.179 180 I HA -0.201 3.969 4.170 0.001 0.000 0.242 180 I C 1.875 178.037 176.117 0.074 0.000 1.088 180 I CA 1.622 62.957 61.300 0.058 0.000 1.357 180 I CB -1.576 36.462 38.000 0.064 0.000 1.051 180 I HN 0.264 nan 8.210 nan 0.000 0.409 181 D N 0.365 120.800 120.400 0.057 0.000 2.117 181 D HA -0.142 4.499 4.640 0.001 0.000 0.197 181 D C 2.218 178.552 176.300 0.058 0.000 0.987 181 D CA 1.526 55.556 54.000 0.051 0.000 0.829 181 D CB -0.165 40.635 40.800 -0.000 0.000 0.961 181 D HN 0.236 nan 8.370 nan 0.000 0.460 182 T N 0.553 115.141 114.554 0.056 0.000 2.720 182 T HA -0.117 4.234 4.350 0.001 0.000 0.268 182 T C 2.146 176.899 174.700 0.088 0.000 1.037 182 T CA 0.718 62.855 62.100 0.063 0.000 1.144 182 T CB -0.221 68.678 68.868 0.051 0.000 0.864 182 T HN 0.176 nan 8.240 nan 0.000 0.444 183 I N 0.430 121.062 120.570 0.103 0.000 2.179 183 I HA -0.118 4.052 4.170 0.001 0.000 0.242 183 I C 2.222 178.465 176.117 0.209 0.000 1.088 183 I CA 1.311 62.705 61.300 0.157 0.000 1.357 183 I CB -0.378 37.690 38.000 0.114 0.000 1.051 183 I HN 0.220 nan 8.210 nan 0.000 0.409 184 I N 0.795 121.444 120.570 0.132 0.000 2.361 184 I HA -0.296 3.874 4.170 0.001 0.000 0.251 184 I C 2.173 178.350 176.117 0.101 0.000 1.133 184 I CA 1.333 62.706 61.300 0.121 0.000 1.413 184 I CB -0.524 37.528 38.000 0.086 0.000 1.073 184 I HN 0.297 nan 8.210 nan 0.000 0.424 185 N N 0.564 119.306 118.700 0.071 0.000 2.364 185 N HA -0.187 4.554 4.740 0.001 0.000 0.183 185 N C 1.743 177.227 175.510 -0.043 0.000 1.022 185 N CA 0.992 54.050 53.050 0.013 0.000 0.883 185 N CB 0.086 38.603 38.487 0.049 0.000 0.965 185 N HN 0.214 nan 8.380 nan 0.000 0.438 186 Q N 0.085 119.902 119.800 0.029 0.000 2.472 186 Q HA -0.027 4.314 4.340 0.001 0.000 0.208 186 Q C 1.526 177.362 176.000 -0.272 0.000 0.958 186 Q CA 0.438 56.232 55.803 -0.015 0.000 0.932 186 Q CB -0.060 28.604 28.738 -0.123 0.000 1.007 186 Q HN 0.487 nan 8.270 nan 0.000 0.508 187 K N 1.488 121.787 120.400 -0.168 0.000 2.148 187 K HA -0.150 4.171 4.320 0.001 0.000 0.204 187 K C 1.932 178.393 176.600 -0.233 0.000 1.050 187 K CA 1.014 57.236 56.287 -0.108 0.000 0.942 187 K CB 0.109 32.666 32.500 0.095 0.000 0.724 187 K HN 0.175 nan 8.250 nan 0.000 0.446 188 R N -0.407 119.849 120.500 -0.406 0.000 2.189 188 R HA -0.098 4.242 4.340 0.001 0.000 0.223 188 R C 1.372 177.362 176.300 -0.516 0.000 1.092 188 R CA 1.376 57.186 56.100 -0.483 0.000 0.989 188 R CB -0.331 29.642 30.300 -0.544 0.000 0.876 188 R HN 0.154 nan 8.270 nan 0.000 0.457 189 F N 0.567 120.423 119.950 -0.156 0.000 2.446 189 F HA 0.248 4.776 4.527 0.001 0.000 0.292 189 F C 1.598 177.275 175.800 -0.205 0.000 1.096 189 F CA -0.208 57.690 58.000 -0.170 0.000 1.438 189 F CB -0.133 38.752 39.000 -0.192 0.000 1.107 189 F HN -0.037 nan 8.300 nan 0.000 0.546 190 N N 0.122 118.735 118.700 -0.145 0.000 2.416 190 N HA -0.091 4.649 4.740 0.001 0.000 0.177 190 N C 0.846 176.294 175.510 -0.103 0.000 1.036 190 N CA 0.902 53.813 53.050 -0.231 0.000 0.901 190 N CB -0.310 37.845 38.487 -0.554 0.000 0.976 190 N HN 0.200 nan 8.380 nan 0.000 0.444 191 D N -0.103 120.248 120.400 -0.082 0.000 2.348 191 D HA 0.087 4.727 4.640 0.001 0.000 0.211 191 D C 1.288 177.569 176.300 -0.032 0.000 0.998 191 D CA 0.207 54.185 54.000 -0.038 0.000 0.873 191 D CB -0.022 40.752 40.800 -0.043 0.000 0.925 191 D HN 0.143 nan 8.370 nan 0.000 0.524 192 G N -0.587 108.192 108.800 -0.035 0.000 2.489 192 G HA2 0.217 4.177 3.960 0.001 0.000 0.271 192 G HA3 0.217 4.177 3.960 0.001 0.000 0.271 192 G C 0.864 175.766 174.900 0.004 0.000 1.427 192 G CA 0.244 45.337 45.100 -0.013 0.000 1.057 192 G HN 0.069 nan 8.290 nan 0.000 0.532 193 T N -0.899 113.662 114.554 0.012 0.000 2.999 193 T HA 0.103 4.454 4.350 0.001 0.000 0.247 193 T C 0.496 175.210 174.700 0.022 0.000 1.012 193 T CA 0.116 62.226 62.100 0.016 0.000 1.048 193 T CB 0.105 68.980 68.868 0.012 0.000 1.020 193 T HN 0.438 nan 8.240 nan 0.000 0.478 194 D N 2.233 122.647 120.400 0.022 0.000 2.363 194 D HA 0.063 4.704 4.640 0.001 0.000 0.263 194 D C 0.855 177.169 176.300 0.023 0.000 1.258 194 D CA 0.145 54.157 54.000 0.020 0.000 0.907 194 D CB 1.151 41.959 40.800 0.014 0.000 1.107 194 D HN 0.136 nan 8.370 nan 0.000 0.495 195 E N 2.633 122.856 120.200 0.037 0.000 2.371 195 E HA -0.010 4.341 4.350 0.001 0.000 0.194 195 E C 1.174 177.824 176.600 0.083 0.000 1.012 195 E CA 0.765 57.203 56.400 0.063 0.000 0.860 195 E CB 0.280 30.028 29.700 0.081 0.000 0.811 195 E HN 0.386 nan 8.360 nan 0.000 0.502 196 K N -0.344 120.090 120.400 0.057 0.000 2.418 196 K HA 0.092 4.412 4.320 0.001 0.000 0.195 196 K C 1.590 178.149 176.600 -0.068 0.000 1.035 196 K CA 0.397 56.730 56.287 0.076 0.000 1.003 196 K CB 0.304 32.836 32.500 0.053 0.000 0.793 196 K HN -0.099 nan 8.250 nan 0.000 0.494 197 K N 0.910 121.248 120.400 -0.104 0.000 2.379 197 K HA 0.072 4.393 4.320 0.001 0.000 0.194 197 K C -0.078 176.366 176.600 -0.259 0.000 1.031 197 K CA 0.160 56.303 56.287 -0.241 0.000 1.037 197 K CB 0.433 32.833 32.500 -0.167 0.000 0.824 197 K HN 0.048 nan 8.250 nan 0.000 0.516 198 K N 1.163 121.484 120.400 -0.131 0.000 2.319 198 K HA 0.068 4.388 4.320 0.001 0.000 0.265 198 K C -0.523 175.916 176.600 -0.269 0.000 1.000 198 K CA -0.019 56.144 56.287 -0.208 0.000 0.943 198 K CB 0.565 32.926 32.500 -0.231 0.000 0.950 198 K HN -0.135 nan 8.250 nan 0.000 0.485 199 L N 3.327 124.296 121.223 -0.424 0.000 2.441 199 L HA 0.288 4.628 4.340 0.001 0.000 0.270 199 L C -1.689 174.901 176.870 -0.467 0.000 0.973 199 L CA -0.407 54.239 54.840 -0.323 0.000 0.842 199 L CB 0.895 42.833 42.059 -0.201 0.000 1.239 199 L HN 0.425 nan 8.230 nan 0.000 0.406 200 Y N 3.276 123.435 120.300 -0.235 0.000 2.304 200 Y HA 0.502 5.052 4.550 0.001 0.000 0.328 200 Y C 0.427 176.201 175.900 -0.210 0.000 1.123 200 Y CA -0.203 57.716 58.100 -0.303 0.000 1.218 200 Y CB 1.036 38.993 38.460 -0.838 0.000 1.207 200 Y HN 0.497 nan 8.280 nan 0.000 0.495 201 C N 4.781 124.140 119.300 0.098 0.000 2.411 201 C HA 0.714 5.174 4.460 0.001 0.000 0.330 201 C C -0.102 174.928 174.990 0.066 0.000 1.224 201 C CA -1.119 57.952 59.018 0.088 0.000 1.770 201 C CB 0.087 27.930 27.740 0.171 0.000 2.297 201 C HN 0.648 nan 8.230 nan 0.000 0.507 202 I N 2.241 122.832 120.570 0.034 0.000 2.478 202 I HA 0.273 4.443 4.170 0.001 0.000 0.287 202 I C -1.260 174.865 176.117 0.012 0.000 1.042 202 I CA -0.498 60.820 61.300 0.030 0.000 1.067 202 I CB 1.364 39.365 38.000 0.001 0.000 1.233 202 I HN 0.637 nan 8.210 nan 0.000 0.431 203 Y N 6.885 127.147 120.300 -0.063 0.000 2.356 203 Y HA 0.554 5.105 4.550 0.001 0.000 0.334 203 Y C -0.842 175.026 175.900 -0.054 0.000 0.958 203 Y CA -0.653 57.404 58.100 -0.071 0.000 1.196 203 Y CB 1.290 39.725 38.460 -0.040 0.000 1.137 203 Y HN 0.274 nan 8.280 nan 0.000 0.485 204 V N 6.379 126.044 119.914 -0.415 0.000 2.383 204 V HA 0.624 4.745 4.120 0.001 0.000 0.275 204 V C 0.056 175.912 176.094 -0.396 0.000 1.036 204 V CA -0.576 61.576 62.300 -0.248 0.000 0.889 204 V CB 0.836 32.599 31.823 -0.099 0.000 0.985 204 V HN 0.902 nan 8.190 nan 0.000 0.459 205 A N 6.872 129.610 122.820 -0.136 0.000 2.260 205 A HA 0.848 5.168 4.320 0.001 0.000 0.308 205 A C -0.664 176.921 177.584 0.003 0.000 1.254 205 A CA -0.330 51.690 52.037 -0.028 0.000 0.874 205 A CB 0.111 19.223 19.000 0.185 0.000 1.153 205 A HN 0.747 nan 8.150 nan 0.000 0.527 206 I N 2.042 122.610 120.570 -0.003 0.000 2.410 206 I HA 0.577 4.748 4.170 0.001 0.000 0.286 206 I C 1.079 177.224 176.117 0.047 0.000 1.009 206 I CA 0.473 61.788 61.300 0.026 0.000 1.111 206 I CB 1.805 39.814 38.000 0.014 0.000 1.262 206 I HN 0.990 nan 8.210 nan 0.000 0.443 207 G N 3.605 112.441 108.800 0.061 0.000 2.179 207 G HA2 -0.229 3.732 3.960 0.001 0.000 0.260 207 G HA3 -0.229 3.732 3.960 0.001 0.000 0.260 207 G C 0.270 175.207 174.900 0.060 0.000 0.977 207 G CA -0.248 44.891 45.100 0.065 0.000 0.641 207 G HN 0.589 nan 8.290 nan 0.000 0.533 208 Q N 0.426 120.264 119.800 0.063 0.000 2.382 208 Q HA 0.442 4.782 4.340 0.001 0.000 0.229 208 Q C 0.674 176.709 176.000 0.057 0.000 1.006 208 Q CA 0.015 55.856 55.803 0.065 0.000 0.916 208 Q CB 0.591 29.380 28.738 0.085 0.000 1.235 208 Q HN 0.644 nan 8.270 nan 0.000 0.512 209 K N 0.451 120.881 120.400 0.050 0.000 2.350 209 K HA 0.121 4.441 4.320 0.001 0.000 0.279 209 K C 0.497 177.123 176.600 0.042 0.000 1.027 209 K CA -0.362 55.950 56.287 0.042 0.000 0.969 209 K CB 1.024 33.545 32.500 0.035 0.000 0.954 209 K HN 0.481 nan 8.250 nan 0.000 0.474 210 R N 1.203 121.725 120.500 0.037 0.000 2.117 210 R HA -0.200 4.141 4.340 0.001 0.000 0.243 210 R C 2.050 178.365 176.300 0.026 0.000 1.143 210 R CA 2.344 58.464 56.100 0.033 0.000 0.968 210 R CB -0.252 30.064 30.300 0.028 0.000 0.863 210 R HN 0.974 nan 8.270 nan 0.000 0.444 211 S N -1.318 114.395 115.700 0.022 0.000 2.423 211 S HA -0.082 4.388 4.470 0.001 0.000 0.231 211 S C 1.832 176.440 174.600 0.013 0.000 1.014 211 S CA 1.472 59.681 58.200 0.015 0.000 0.965 211 S CB -0.151 63.057 63.200 0.013 0.000 0.785 211 S HN 0.221 nan 8.310 nan 0.000 0.495 212 T N 2.333 116.900 114.554 0.023 0.000 2.777 212 T HA 0.018 4.369 4.350 0.001 0.000 0.266 212 T C 1.884 176.593 174.700 0.014 0.000 1.040 212 T CA 1.350 63.464 62.100 0.023 0.000 1.141 212 T CB -0.469 68.423 68.868 0.040 0.000 0.868 212 T HN 0.312 nan 8.240 nan 0.000 0.444 213 V N 1.839 121.770 119.914 0.028 0.000 2.358 213 V HA -0.148 3.973 4.120 0.001 0.000 0.246 213 V C 2.904 178.988 176.094 -0.016 0.000 1.047 213 V CA 1.605 63.918 62.300 0.021 0.000 1.035 213 V CB -1.304 30.556 31.823 0.061 0.000 0.658 213 V HN 0.503 nan 8.190 nan 0.000 0.452 214 A N -0.472 122.343 122.820 -0.007 0.000 1.892 214 A HA -0.352 3.969 4.320 0.001 0.000 0.218 214 A C 2.159 179.721 177.584 -0.037 0.000 1.188 214 A CA 2.345 54.370 52.037 -0.020 0.000 0.631 214 A CB -0.650 18.344 19.000 -0.010 0.000 0.822 214 A HN 0.558 nan 8.150 nan 0.000 0.447 215 Q N -1.104 118.677 119.800 -0.032 0.000 2.234 215 Q HA -0.088 4.253 4.340 0.001 0.000 0.206 215 Q C 1.970 177.929 176.000 -0.068 0.000 0.980 215 Q CA 1.077 56.855 55.803 -0.042 0.000 0.869 215 Q CB -0.178 28.545 28.738 -0.024 0.000 0.912 215 Q HN 0.605 nan 8.270 nan 0.000 0.436 216 L N -0.026 121.146 121.223 -0.085 0.000 2.095 216 L HA -0.042 4.298 4.340 0.001 0.000 0.204 216 L C 2.144 178.917 176.870 -0.162 0.000 1.080 216 L CA 1.632 56.383 54.840 -0.147 0.000 0.759 216 L CB -1.042 40.886 42.059 -0.218 0.000 0.914 216 L HN 0.280 nan 8.230 nan 0.000 0.439 217 V N -0.593 119.244 119.914 -0.128 0.000 2.427 217 V HA -0.206 3.914 4.120 0.001 0.000 0.248 217 V C 2.652 178.684 176.094 -0.103 0.000 1.051 217 V CA 1.935 64.166 62.300 -0.115 0.000 1.048 217 V CB -0.610 31.165 31.823 -0.080 0.000 0.666 217 V HN 0.433 nan 8.190 nan 0.000 0.456 218 K N 1.655 122.003 120.400 -0.088 0.000 2.044 218 K HA -0.247 4.073 4.320 0.001 0.000 0.210 218 K C 2.321 178.857 176.600 -0.107 0.000 1.049 218 K CA 2.565 58.801 56.287 -0.085 0.000 0.927 218 K CB -0.740 31.718 32.500 -0.071 0.000 0.713 218 K HN 0.566 nan 8.250 nan 0.000 0.443 219 R N 0.371 120.797 120.500 -0.124 0.000 2.081 219 R HA 0.023 4.364 4.340 0.001 0.000 0.235 219 R C 2.196 178.408 176.300 -0.147 0.000 1.131 219 R CA 1.654 57.661 56.100 -0.155 0.000 0.960 219 R CB -0.592 29.613 30.300 -0.159 0.000 0.856 219 R HN 0.342 nan 8.270 nan 0.000 0.436 220 L N -0.226 120.912 121.223 -0.143 0.000 2.093 220 L HA -0.120 4.220 4.340 0.001 0.000 0.208 220 L C 2.087 178.865 176.870 -0.152 0.000 1.085 220 L CA 1.770 56.518 54.840 -0.153 0.000 0.755 220 L CB -0.588 41.366 42.059 -0.175 0.000 0.904 220 L HN 0.340 nan 8.230 nan 0.000 0.435 221 T N -1.074 113.403 114.554 -0.128 0.000 2.737 221 T HA -0.151 4.199 4.350 0.001 0.000 0.265 221 T C 1.449 176.090 174.700 -0.098 0.000 1.038 221 T CA 1.281 63.316 62.100 -0.109 0.000 1.144 221 T CB -0.183 68.633 68.868 -0.087 0.000 0.866 221 T HN 0.282 nan 8.240 nan 0.000 0.434 222 D N 1.583 121.923 120.400 -0.100 0.000 2.182 222 D HA -0.017 4.624 4.640 0.001 0.000 0.201 222 D C 2.001 178.246 176.300 -0.091 0.000 0.986 222 D CA 1.025 54.969 54.000 -0.094 0.000 0.847 222 D CB -0.272 40.462 40.800 -0.111 0.000 0.942 222 D HN 0.421 nan 8.370 nan 0.000 0.467 223 A N 0.264 123.022 122.820 -0.102 0.000 2.238 223 A HA -0.009 4.312 4.320 0.001 0.000 0.208 223 A C 0.501 178.042 177.584 -0.071 0.000 1.177 223 A CA 0.509 52.497 52.037 -0.082 0.000 0.804 223 A CB -0.003 18.951 19.000 -0.077 0.000 0.823 223 A HN 0.064 nan 8.150 nan 0.000 0.482 224 D N -2.844 117.503 120.400 -0.089 0.000 2.723 224 D HA -0.203 4.438 4.640 0.001 0.000 0.236 224 D C 0.657 176.869 176.300 -0.147 0.000 1.138 224 D CA 1.055 55.003 54.000 -0.086 0.000 0.676 224 D CB -1.242 39.535 40.800 -0.038 0.000 1.069 224 D HN 0.521 nan 8.370 nan 0.000 0.430 225 A N -0.645 122.011 122.820 -0.272 0.000 2.324 225 A HA 0.182 4.503 4.320 0.001 0.000 0.220 225 A C 2.026 179.134 177.584 -0.793 0.000 1.209 225 A CA 0.208 51.849 52.037 -0.660 0.000 0.918 225 A CB 0.063 18.829 19.000 -0.391 0.000 0.959 225 A HN 0.274 nan 8.150 nan 0.000 0.507 226 M N 1.266 120.628 119.600 -0.396 0.000 2.213 226 M HA -0.153 4.328 4.480 0.001 0.000 0.263 226 M C 2.095 178.258 176.300 -0.228 0.000 1.062 226 M CA 1.806 56.944 55.300 -0.270 0.000 1.105 226 M CB -0.860 31.649 32.600 -0.152 0.000 1.385 226 M HN 0.699 nan 8.290 nan 0.000 0.417 227 K N 0.395 120.665 120.400 -0.216 0.000 2.280 227 K HA -0.180 4.141 4.320 0.001 0.000 0.202 227 K C 0.797 177.432 176.600 0.058 0.000 1.047 227 K CA 1.461 57.716 56.287 -0.053 0.000 0.942 227 K CB -0.605 31.900 32.500 0.007 0.000 0.739 227 K HN 0.512 nan 8.250 nan 0.000 0.457 228 Y N -0.210 120.120 120.300 0.049 0.000 2.720 228 Y HA 0.480 5.031 4.550 0.001 0.000 0.268 228 Y C -0.626 175.315 175.900 0.070 0.000 1.142 228 Y CA -1.100 57.049 58.100 0.082 0.000 1.193 228 Y CB 0.120 38.559 38.460 -0.034 0.000 1.176 228 Y HN -0.216 nan 8.280 nan 0.000 0.542 229 T N 2.909 117.481 114.554 0.031 0.000 2.881 229 T HA 0.553 4.904 4.350 0.001 0.000 0.290 229 T C -0.502 174.228 174.700 0.050 0.000 1.000 229 T CA -0.481 61.636 62.100 0.027 0.000 0.978 229 T CB 1.634 70.440 68.868 -0.103 0.000 0.997 229 T HN 0.186 nan 8.240 nan 0.000 0.443 230 I N 2.608 123.227 120.570 0.082 0.000 2.353 230 I HA 0.460 4.631 4.170 0.001 0.000 0.293 230 I C -0.355 175.810 176.117 0.079 0.000 0.992 230 I CA -1.051 60.296 61.300 0.079 0.000 1.268 230 I CB 1.474 39.537 38.000 0.105 0.000 1.387 230 I HN 0.214 nan 8.210 nan 0.000 0.478 231 V N 7.332 127.288 119.914 0.069 0.000 2.347 231 V HA 0.284 4.405 4.120 0.001 0.000 0.280 231 V C 0.086 176.230 176.094 0.083 0.000 1.021 231 V CA -0.604 61.758 62.300 0.103 0.000 0.847 231 V CB 1.772 33.645 31.823 0.082 0.000 0.990 231 V HN 0.419 nan 8.190 nan 0.000 0.444 232 V N 4.210 124.174 119.914 0.083 0.000 2.394 232 V HA 0.537 4.657 4.120 0.001 0.000 0.282 232 V C 0.226 176.355 176.094 0.058 0.000 1.031 232 V CA -0.110 62.221 62.300 0.050 0.000 0.881 232 V CB 1.783 33.623 31.823 0.028 0.000 0.982 232 V HN 0.832 nan 8.190 nan 0.000 0.451 233 S N 3.961 119.692 115.700 0.051 0.000 2.756 233 S HA 0.756 5.226 4.470 0.001 0.000 0.303 233 S C -0.385 174.244 174.600 0.047 0.000 1.135 233 S CA -0.187 58.049 58.200 0.060 0.000 1.066 233 S CB 1.028 64.268 63.200 0.067 0.000 1.008 233 S HN 1.068 nan 8.310 nan 0.000 0.482 234 A N 4.402 127.251 122.820 0.049 0.000 2.536 234 A HA 0.639 4.959 4.320 0.001 0.000 0.329 234 A C 0.451 178.072 177.584 0.062 0.000 1.321 234 A CA -0.625 51.446 52.037 0.056 0.000 0.804 234 A CB 0.150 19.186 19.000 0.061 0.000 1.126 234 A HN 0.805 nan 8.150 nan 0.000 0.480 235 T N -0.892 113.698 114.554 0.061 0.000 2.867 235 T HA 0.580 4.930 4.350 0.001 0.000 0.286 235 T C 1.554 176.289 174.700 0.059 0.000 1.022 235 T CA 0.071 62.207 62.100 0.060 0.000 0.933 235 T CB 0.860 69.761 68.868 0.054 0.000 1.280 235 T HN 0.943 nan 8.240 nan 0.000 0.566 236 A N 0.485 123.337 122.820 0.054 0.000 2.067 236 A HA 0.015 4.335 4.320 0.001 0.000 0.219 236 A C 2.352 179.965 177.584 0.048 0.000 1.158 236 A CA 1.591 53.659 52.037 0.052 0.000 0.661 236 A CB -1.184 17.844 19.000 0.046 0.000 0.801 236 A HN 0.971 nan 8.150 nan 0.000 0.452 237 S N -0.732 114.995 115.700 0.045 0.000 2.556 237 S HA 0.104 4.575 4.470 0.001 0.000 0.216 237 S C -0.164 174.464 174.600 0.047 0.000 0.970 237 S CA -0.335 57.889 58.200 0.040 0.000 0.912 237 S CB -0.167 63.052 63.200 0.033 0.000 0.790 237 S HN 0.339 nan 8.310 nan 0.000 0.504 238 D N 3.008 123.443 120.400 0.058 0.000 2.382 238 D HA 0.544 5.185 4.640 0.001 0.000 0.245 238 D C 0.442 176.793 176.300 0.084 0.000 1.120 238 D CA 0.214 54.257 54.000 0.072 0.000 0.890 238 D CB 1.186 42.033 40.800 0.079 0.000 1.201 238 D HN 0.445 nan 8.370 nan 0.000 0.433 239 A N 1.597 124.474 122.820 0.095 0.000 2.507 239 A HA 0.364 4.685 4.320 0.001 0.000 0.235 239 A C 1.467 179.127 177.584 0.128 0.000 1.070 239 A CA 0.403 52.497 52.037 0.094 0.000 0.768 239 A CB 0.174 19.228 19.000 0.091 0.000 1.011 239 A HN 0.625 nan 8.150 nan 0.000 0.502 240 A N 2.338 125.220 122.820 0.105 0.000 1.892 240 A HA -0.087 4.233 4.320 0.001 0.000 0.218 240 A C -0.097 177.617 177.584 0.217 0.000 1.188 240 A CA 2.205 54.322 52.037 0.133 0.000 0.631 240 A CB -1.839 17.209 19.000 0.079 0.000 0.822 240 A HN 0.644 nan 8.150 nan 0.000 0.447 241 P HA -0.159 nan 4.420 nan 0.000 0.216 241 P C 1.369 179.017 177.300 0.579 0.000 1.150 241 P CA 1.021 64.340 63.100 0.365 0.000 0.843 241 P CB -0.141 31.670 31.700 0.185 0.000 0.787 242 L N -1.175 120.307 121.223 0.431 0.000 2.072 242 L HA -0.170 4.171 4.340 0.001 0.000 0.205 242 L C 2.635 179.630 176.870 0.208 0.000 1.079 242 L CA 1.475 56.483 54.840 0.280 0.000 0.752 242 L CB -0.969 41.202 42.059 0.187 0.000 0.906 242 L HN -0.016 nan 8.230 nan 0.000 0.436 243 Q N -1.007 118.921 119.800 0.213 0.000 2.124 243 Q HA -0.255 4.086 4.340 0.001 0.000 0.202 243 Q C 2.132 178.254 176.000 0.203 0.000 0.977 243 Q CA 1.919 57.825 55.803 0.171 0.000 0.850 243 Q CB -0.324 28.509 28.738 0.159 0.000 0.901 243 Q HN 0.529 nan 8.270 nan 0.000 0.429 244 Y N 0.912 121.315 120.300 0.171 0.000 2.181 244 Y HA -0.230 4.321 4.550 0.001 0.000 0.288 244 Y C 1.910 177.964 175.900 0.256 0.000 1.146 244 Y CA 1.148 59.375 58.100 0.212 0.000 1.164 244 Y CB -0.135 38.484 38.460 0.265 0.000 0.982 244 Y HN 0.069 nan 8.280 nan 0.000 0.515 245 L N 0.549 121.850 121.223 0.130 0.000 2.179 245 L HA 0.082 4.423 4.340 0.001 0.000 0.208 245 L C 2.543 179.426 176.870 0.021 0.000 1.096 245 L CA 1.601 56.474 54.840 0.054 0.000 0.779 245 L CB -1.092 41.030 42.059 0.104 0.000 0.922 245 L HN 0.317 nan 8.230 nan 0.000 0.443 246 A N 0.519 123.338 122.820 -0.003 0.000 1.903 246 A HA -0.179 4.142 4.320 0.001 0.000 0.219 246 A C -0.051 177.502 177.584 -0.052 0.000 1.191 246 A CA 2.232 54.258 52.037 -0.019 0.000 0.638 246 A CB -2.075 16.926 19.000 0.003 0.000 0.823 246 A HN 0.402 nan 8.150 nan 0.000 0.451 247 P HA -0.138 nan 4.420 nan 0.000 0.217 247 P C 0.901 178.051 177.300 -0.250 0.000 1.150 247 P CA 1.255 64.215 63.100 -0.234 0.000 0.832 247 P CB -0.221 31.049 31.700 -0.717 0.000 0.787 248 Y N -0.517 119.696 120.300 -0.146 0.000 2.242 248 Y HA -0.114 4.436 4.550 0.001 0.000 0.291 248 Y C 2.658 178.528 175.900 -0.049 0.000 1.137 248 Y CA 1.146 59.169 58.100 -0.127 0.000 1.181 248 Y CB -1.217 37.121 38.460 -0.204 0.000 0.989 248 Y HN -0.100 nan 8.280 nan 0.000 0.527 249 S N 0.083 115.836 115.700 0.089 0.000 2.359 249 S HA -0.225 4.246 4.470 0.001 0.000 0.223 249 S C 2.410 177.044 174.600 0.057 0.000 1.039 249 S CA 1.435 59.662 58.200 0.046 0.000 1.042 249 S CB -1.097 62.105 63.200 0.004 0.000 0.915 249 S HN 0.680 nan 8.310 nan 0.000 0.439 250 G N -0.033 108.807 108.800 0.066 0.000 2.418 250 G HA2 -0.260 3.701 3.960 0.001 0.000 0.217 250 G HA3 -0.260 3.701 3.960 0.001 0.000 0.217 250 G C 1.716 176.677 174.900 0.102 0.000 1.158 250 G CA 1.031 46.174 45.100 0.072 0.000 0.771 250 G HN 0.580 nan 8.290 nan 0.000 0.545 251 C N 0.629 120.019 119.300 0.149 0.000 2.393 251 C HA -0.078 4.382 4.460 0.001 0.000 0.276 251 C C 3.313 178.377 174.990 0.124 0.000 1.215 251 C CA 1.831 60.943 59.018 0.157 0.000 1.743 251 C CB -0.987 26.846 27.740 0.156 0.000 2.044 251 C HN 0.386 nan 8.230 nan 0.000 0.464 252 S N 0.374 116.137 115.700 0.105 0.000 2.383 252 S HA -0.217 4.254 4.470 0.001 0.000 0.229 252 S C 1.692 176.355 174.600 0.104 0.000 1.030 252 S CA 2.135 60.389 58.200 0.089 0.000 1.002 252 S CB -0.398 62.838 63.200 0.061 0.000 0.829 252 S HN 0.662 nan 8.310 nan 0.000 0.467 253 M N 0.726 120.390 119.600 0.107 0.000 2.213 253 M HA -0.039 4.442 4.480 0.001 0.000 0.263 253 M C 2.397 178.869 176.300 0.286 0.000 1.062 253 M CA 1.412 56.792 55.300 0.135 0.000 1.105 253 M CB -0.635 32.036 32.600 0.117 0.000 1.385 253 M HN 0.444 nan 8.290 nan 0.000 0.417 254 G N -0.169 108.788 108.800 0.263 0.000 2.408 254 G HA2 -0.121 3.840 3.960 0.001 0.000 0.215 254 G HA3 -0.121 3.840 3.960 0.001 0.000 0.215 254 G C 1.335 176.411 174.900 0.293 0.000 1.156 254 G CA 0.260 45.557 45.100 0.329 0.000 0.793 254 G HN 0.446 nan 8.290 nan 0.000 0.535 255 E N -0.455 119.854 120.200 0.182 0.000 2.160 255 E HA -0.189 4.161 4.350 0.001 0.000 0.195 255 E C 1.948 178.594 176.600 0.076 0.000 0.991 255 E CA 0.872 57.340 56.400 0.114 0.000 0.810 255 E CB -0.252 29.499 29.700 0.085 0.000 0.742 255 E HN 0.614 nan 8.360 nan 0.000 0.466 256 Y N 0.507 120.780 120.300 -0.046 0.000 2.165 256 Y HA -0.285 4.265 4.550 0.001 0.000 0.286 256 Y C 1.734 177.462 175.900 -0.287 0.000 1.155 256 Y CA 1.666 59.644 58.100 -0.204 0.000 1.164 256 Y CB -0.377 37.877 38.460 -0.344 0.000 0.978 256 Y HN -0.058 nan 8.280 nan 0.000 0.513 257 F N 0.157 120.059 119.950 -0.080 0.000 2.146 257 F HA -0.125 4.403 4.527 0.001 0.000 0.298 257 F C 2.802 178.484 175.800 -0.197 0.000 1.096 257 F CA 1.793 59.685 58.000 -0.180 0.000 1.275 257 F CB -0.640 38.352 39.000 -0.014 0.000 1.008 257 F HN -0.087 nan 8.300 nan 0.000 0.480 258 R N 0.578 121.114 120.500 0.061 0.000 2.091 258 R HA -0.174 4.166 4.340 0.001 0.000 0.238 258 R C 0.855 177.115 176.300 -0.066 0.000 1.136 258 R CA 2.003 58.100 56.100 -0.005 0.000 0.959 258 R CB -0.373 29.945 30.300 0.031 0.000 0.856 258 R HN 0.173 nan 8.270 nan 0.000 0.437 259 D N -0.151 120.189 120.400 -0.099 0.000 2.328 259 D HA 0.039 4.680 4.640 0.001 0.000 0.221 259 D C -0.166 176.038 176.300 -0.160 0.000 1.072 259 D CA 0.351 54.301 54.000 -0.085 0.000 0.850 259 D CB 0.235 41.003 40.800 -0.054 0.000 0.922 259 D HN 0.193 nan 8.370 nan 0.000 0.516 260 N N -0.176 118.375 118.700 -0.248 0.000 2.497 260 N HA 0.169 4.910 4.740 0.001 0.000 0.284 260 N C 0.815 176.216 175.510 -0.182 0.000 1.459 260 N CA -0.045 52.841 53.050 -0.273 0.000 0.899 260 N CB 1.466 39.646 38.487 -0.512 0.000 1.316 260 N HN 0.046 nan 8.380 nan 0.000 0.500 261 G N 1.093 109.810 108.800 -0.138 0.000 2.187 261 G HA2 -0.329 3.631 3.960 0.001 0.000 0.261 261 G HA3 -0.329 3.631 3.960 0.001 0.000 0.261 261 G C 0.162 174.967 174.900 -0.158 0.000 1.000 261 G CA 0.764 45.792 45.100 -0.120 0.000 0.718 261 G HN 0.345 nan 8.290 nan 0.000 0.519 262 K N -0.893 119.408 120.400 -0.165 0.000 2.258 262 K HA 0.673 4.993 4.320 0.001 0.000 0.236 262 K C -0.556 175.888 176.600 -0.259 0.000 1.008 262 K CA -0.955 55.296 56.287 -0.060 0.000 0.869 262 K CB 0.964 33.594 32.500 0.217 0.000 1.171 262 K HN 0.360 nan 8.250 nan 0.000 0.447 263 H N -0.381 118.803 119.070 0.190 0.000 2.505 263 H HA 0.535 5.092 4.556 0.001 0.000 0.338 263 H C -1.050 174.333 175.328 0.092 0.000 1.057 263 H CA -0.672 55.437 56.048 0.102 0.000 1.202 263 H CB 1.870 31.638 29.762 0.011 0.000 1.466 263 H HN 0.616 nan 8.280 nan 0.000 0.499 264 A N 2.853 125.756 122.820 0.139 0.000 2.374 264 A HA 0.628 4.949 4.320 0.001 0.000 0.317 264 A C -1.394 176.205 177.584 0.025 0.000 1.094 264 A CA -0.707 51.350 52.037 0.032 0.000 0.765 264 A CB 1.125 20.154 19.000 0.049 0.000 1.268 264 A HN 0.563 nan 8.150 nan 0.000 0.438 265 L N 2.206 123.423 121.223 -0.011 0.000 2.333 265 L HA 0.783 5.123 4.340 0.001 0.000 0.280 265 L C -0.967 175.866 176.870 -0.062 0.000 1.004 265 L CA -0.408 54.417 54.840 -0.025 0.000 0.820 265 L CB 1.220 43.270 42.059 -0.014 0.000 1.247 265 L HN 0.680 nan 8.230 nan 0.000 0.416 266 I N 5.152 125.640 120.570 -0.136 0.000 2.474 266 I HA 0.549 4.720 4.170 0.001 0.000 0.294 266 I C -1.232 174.618 176.117 -0.444 0.000 1.005 266 I CA -0.540 60.574 61.300 -0.309 0.000 1.113 266 I CB 1.534 39.283 38.000 -0.418 0.000 1.289 266 I HN 0.616 nan 8.210 nan 0.000 0.436 267 I N 7.744 128.035 120.570 -0.465 0.000 2.389 267 I HA 0.280 4.451 4.170 0.001 0.000 0.288 267 I C -1.260 174.487 176.117 -0.615 0.000 0.999 267 I CA -0.149 60.901 61.300 -0.417 0.000 1.129 267 I CB 1.335 39.226 38.000 -0.182 0.000 1.288 267 I HN 0.367 nan 8.210 nan 0.000 0.444 268 Y N 4.275 124.431 120.300 -0.240 0.000 2.491 268 Y HA 0.387 4.937 4.550 0.001 0.000 0.334 268 Y C -0.108 175.627 175.900 -0.274 0.000 0.969 268 Y CA -0.697 57.236 58.100 -0.279 0.000 1.241 268 Y CB 0.818 39.124 38.460 -0.258 0.000 1.105 268 Y HN 0.397 nan 8.280 nan 0.000 0.503 269 D N 3.834 124.096 120.400 -0.230 0.000 2.432 269 D HA 0.186 4.827 4.640 0.001 0.000 0.265 269 D C -1.314 174.930 176.300 -0.094 0.000 1.160 269 D CA -0.404 53.483 54.000 -0.188 0.000 0.911 269 D CB 0.293 40.902 40.800 -0.319 0.000 1.052 269 D HN 0.703 nan 8.370 nan 0.000 0.508 270 D N 0.104 120.482 120.400 -0.037 0.000 2.559 270 D HA 0.249 4.889 4.640 0.001 0.000 0.250 270 D C 0.725 176.996 176.300 -0.048 0.000 1.135 270 D CA -0.741 53.235 54.000 -0.039 0.000 0.955 270 D CB 1.090 41.882 40.800 -0.013 0.000 1.442 270 D HN 0.071 nan 8.370 nan 0.000 0.471 271 L N 0.323 121.480 121.223 -0.109 0.000 2.554 271 L HA 0.042 4.383 4.340 0.001 0.000 0.226 271 L C 1.680 178.533 176.870 -0.030 0.000 1.137 271 L CA 0.270 54.996 54.840 -0.190 0.000 0.863 271 L CB -0.276 41.436 42.059 -0.578 0.000 0.985 271 L HN 0.421 nan 8.230 nan 0.000 0.451 272 S N 0.309 116.015 115.700 0.010 0.000 2.345 272 S HA -0.143 4.328 4.470 0.001 0.000 0.220 272 S C 1.934 176.620 174.600 0.143 0.000 1.031 272 S CA 1.245 59.496 58.200 0.085 0.000 0.996 272 S CB 0.015 63.255 63.200 0.067 0.000 0.882 272 S HN 0.377 nan 8.310 nan 0.000 0.445 273 K N 1.100 121.562 120.400 0.105 0.000 2.097 273 K HA -0.090 4.231 4.320 0.001 0.000 0.206 273 K C 2.422 179.110 176.600 0.146 0.000 1.049 273 K CA 0.875 57.231 56.287 0.116 0.000 0.933 273 K CB -0.148 32.401 32.500 0.081 0.000 0.717 273 K HN 0.325 nan 8.250 nan 0.000 0.442 274 Q N 0.705 120.585 119.800 0.133 0.000 2.061 274 Q HA -0.183 4.157 4.340 0.001 0.000 0.204 274 Q C 2.122 178.297 176.000 0.292 0.000 0.984 274 Q CA 1.730 57.639 55.803 0.176 0.000 0.846 274 Q CB -0.117 28.676 28.738 0.093 0.000 0.902 274 Q HN 0.351 nan 8.270 nan 0.000 0.421 275 A N -0.034 122.983 122.820 0.330 0.000 1.940 275 A HA -0.142 4.179 4.320 0.001 0.000 0.219 275 A C 2.236 180.103 177.584 0.472 0.000 1.176 275 A CA 1.537 53.819 52.037 0.408 0.000 0.631 275 A CB -0.735 18.466 19.000 0.334 0.000 0.814 275 A HN 0.303 nan 8.150 nan 0.000 0.446 276 V N -0.304 119.828 119.914 0.364 0.000 2.343 276 V HA -0.252 3.868 4.120 0.001 0.000 0.247 276 V C 3.025 179.211 176.094 0.153 0.000 1.051 276 V CA 1.963 64.389 62.300 0.210 0.000 1.036 276 V CB -1.054 30.863 31.823 0.156 0.000 0.654 276 V HN 0.630 nan 8.190 nan 0.000 0.451 277 A N -1.057 121.886 122.820 0.206 0.000 1.898 277 A HA -0.235 4.086 4.320 0.001 0.000 0.216 277 A C 2.166 179.885 177.584 0.226 0.000 1.181 277 A CA 1.824 53.979 52.037 0.195 0.000 0.620 277 A CB -0.728 18.413 19.000 0.234 0.000 0.819 277 A HN 0.610 nan 8.150 nan 0.000 0.442 278 Y N 0.730 121.142 120.300 0.186 0.000 2.145 278 Y HA -0.225 4.326 4.550 0.001 0.000 0.286 278 Y C 2.459 178.390 175.900 0.052 0.000 1.145 278 Y CA 2.041 60.225 58.100 0.140 0.000 1.148 278 Y CB -0.597 38.020 38.460 0.261 0.000 0.981 278 Y HN 0.348 nan 8.280 nan 0.000 0.507 279 R N 0.301 120.783 120.500 -0.030 0.000 2.094 279 R HA -0.285 4.056 4.340 0.001 0.000 0.239 279 R C 2.503 178.692 176.300 -0.185 0.000 1.137 279 R CA 2.154 58.140 56.100 -0.191 0.000 0.943 279 R CB -0.567 29.613 30.300 -0.200 0.000 0.850 279 R HN 0.602 nan 8.270 nan 0.000 0.433 280 Q N 0.247 119.988 119.800 -0.098 0.000 2.045 280 Q HA -0.279 4.061 4.340 0.001 0.000 0.206 280 Q C 2.210 178.146 176.000 -0.107 0.000 0.991 280 Q CA 2.400 58.154 55.803 -0.082 0.000 0.851 280 Q CB -0.187 28.533 28.738 -0.030 0.000 0.911 280 Q HN 0.488 nan 8.270 nan 0.000 0.418 281 M N -0.390 119.142 119.600 -0.113 0.000 2.080 281 M HA -0.201 4.280 4.480 0.001 0.000 0.260 281 M C 2.374 178.562 176.300 -0.187 0.000 1.068 281 M CA 2.006 57.221 55.300 -0.141 0.000 1.109 281 M CB -0.225 32.276 32.600 -0.166 0.000 1.342 281 M HN 0.284 nan 8.290 nan 0.000 0.405 282 S N 0.491 116.014 115.700 -0.295 0.000 2.359 282 S HA -0.155 4.316 4.470 0.001 0.000 0.224 282 S C 1.766 176.254 174.600 -0.187 0.000 1.035 282 S CA 1.507 59.523 58.200 -0.306 0.000 1.018 282 S CB -0.470 62.401 63.200 -0.548 0.000 0.876 282 S HN 0.555 nan 8.310 nan 0.000 0.448 283 L N 0.905 122.026 121.223 -0.170 0.000 2.083 283 L HA -0.076 4.264 4.340 0.001 0.000 0.209 283 L C 2.363 179.180 176.870 -0.088 0.000 1.083 283 L CA 1.022 55.793 54.840 -0.116 0.000 0.752 283 L CB -0.510 41.484 42.059 -0.109 0.000 0.899 283 L HN 0.342 nan 8.230 nan 0.000 0.433 284 L N -0.681 120.489 121.223 -0.090 0.000 2.141 284 L HA -0.182 4.158 4.340 0.001 0.000 0.209 284 L C 2.278 179.110 176.870 -0.064 0.000 1.094 284 L CA 0.869 55.667 54.840 -0.069 0.000 0.763 284 L CB -0.376 41.644 42.059 -0.066 0.000 0.908 284 L HN 0.267 nan 8.230 nan 0.000 0.437 285 L N -0.081 121.096 121.223 -0.077 0.000 2.633 285 L HA -0.049 4.292 4.340 0.001 0.000 0.235 285 L C 0.757 177.597 176.870 -0.050 0.000 1.163 285 L CA 0.168 54.971 54.840 -0.062 0.000 0.859 285 L CB -0.211 41.805 42.059 -0.072 0.000 0.973 285 L HN 0.345 nan 8.230 nan 0.000 0.451 286 R N -0.829 119.638 120.500 -0.054 0.000 3.878 286 R HA -0.164 4.176 4.340 0.001 0.000 0.330 286 R C -0.063 176.212 176.300 -0.040 0.000 1.186 286 R CA 0.531 56.605 56.100 -0.043 0.000 0.885 286 R CB -2.205 28.077 30.300 -0.030 0.000 1.377 286 R HN 0.412 nan 8.270 nan 0.000 0.523 287 R N 1.836 122.305 120.500 -0.052 0.000 2.370 287 R HA 0.180 4.521 4.340 0.001 0.000 0.309 287 R C -2.012 174.261 176.300 -0.044 0.000 1.059 287 R CA -1.417 54.658 56.100 -0.043 0.000 0.981 287 R CB 0.314 30.585 30.300 -0.049 0.000 0.972 287 R HN -0.093 nan 8.270 nan 0.000 0.437 288 P HA 0.019 nan 4.420 nan 0.000 0.265 288 P C -2.209 175.079 177.300 -0.019 0.000 1.193 288 P CA -0.853 62.234 63.100 -0.022 0.000 0.765 288 P CB 0.147 31.840 31.700 -0.011 0.000 0.823 289 P HA 0.198 nan 4.420 nan 0.000 0.274 289 P C 0.198 177.507 177.300 0.015 0.000 1.237 289 P CA 0.004 63.096 63.100 -0.014 0.000 0.793 289 P CB 0.936 32.617 31.700 -0.030 0.000 0.977 290 G N 0.839 109.670 108.800 0.052 0.000 3.099 290 G HA2 0.315 4.275 3.960 0.001 0.000 0.151 290 G HA3 0.315 4.275 3.960 0.001 0.000 0.151 290 G C -0.470 174.463 174.900 0.055 0.000 1.265 290 G CA -0.801 44.335 45.100 0.059 0.000 0.981 290 G HN 0.495 nan 8.290 nan 0.000 0.601 291 R N 0.817 121.336 120.500 0.032 0.000 2.538 291 R HA 0.112 4.453 4.340 0.001 0.000 0.282 291 R C 0.134 176.509 176.300 0.125 0.000 1.009 291 R CA 0.811 56.878 56.100 -0.056 0.000 1.063 291 R CB -0.150 29.922 30.300 -0.381 0.000 0.945 291 R HN 0.712 nan 8.270 nan 0.000 0.414 292 E N 2.343 122.605 120.200 0.103 0.000 2.722 292 E HA -0.360 3.990 4.350 0.001 0.000 0.265 292 E C 0.419 177.116 176.600 0.163 0.000 1.081 292 E CA 0.456 56.984 56.400 0.213 0.000 0.781 292 E CB -1.333 28.607 29.700 0.400 0.000 1.372 292 E HN 0.894 nan 8.360 nan 0.000 0.423 293 A N -2.330 120.531 122.820 0.069 0.000 3.601 293 A HA -0.319 4.001 4.320 0.001 0.000 0.266 293 A C 0.298 177.835 177.584 -0.079 0.000 1.077 293 A CA 1.826 53.836 52.037 -0.044 0.000 1.228 293 A CB -1.897 17.029 19.000 -0.123 0.000 1.099 293 A HN 0.411 nan 8.150 nan 0.000 0.916 294 Y N 0.329 120.674 120.300 0.074 0.000 2.357 294 Y HA 0.434 4.984 4.550 0.001 0.000 0.340 294 Y C -1.516 174.418 175.900 0.057 0.000 1.260 294 Y CA -1.238 56.910 58.100 0.081 0.000 1.425 294 Y CB -0.038 38.530 38.460 0.179 0.000 1.326 294 Y HN 0.160 nan 8.280 nan 0.000 0.580 295 P HA -0.003 nan 4.420 nan 0.000 0.270 295 P C 0.678 178.114 177.300 0.227 0.000 1.223 295 P CA 0.370 63.538 63.100 0.112 0.000 0.785 295 P CB 0.622 32.316 31.700 -0.010 0.000 0.923 296 G N 1.418 110.323 108.800 0.175 0.000 2.479 296 G HA2 -0.206 3.755 3.960 0.001 0.000 0.220 296 G HA3 -0.206 3.755 3.960 0.001 0.000 0.220 296 G C 0.510 175.553 174.900 0.239 0.000 1.115 296 G CA 0.716 45.925 45.100 0.181 0.000 0.757 296 G HN 0.644 nan 8.290 nan 0.000 0.560 297 D N -0.063 120.511 120.400 0.290 0.000 2.643 297 D HA 0.129 4.770 4.640 0.001 0.000 0.244 297 D C 1.559 178.068 176.300 0.349 0.000 1.257 297 D CA -0.540 53.662 54.000 0.337 0.000 0.831 297 D CB 0.154 41.163 40.800 0.348 0.000 1.043 297 D HN 0.051 nan 8.370 nan 0.000 0.488 298 V N -0.049 120.055 119.914 0.316 0.000 2.594 298 V HA -0.147 3.973 4.120 0.001 0.000 0.253 298 V C 1.766 177.841 176.094 -0.032 0.000 1.069 298 V CA 1.412 63.804 62.300 0.152 0.000 1.082 298 V CB -0.772 31.134 31.823 0.140 0.000 0.680 298 V HN 0.304 nan 8.190 nan 0.000 0.469 299 F N 0.249 120.183 119.950 -0.026 0.000 2.102 299 F HA -0.228 4.300 4.527 0.001 0.000 0.298 299 F C 2.149 177.970 175.800 0.036 0.000 1.105 299 F CA 2.414 60.402 58.000 -0.021 0.000 1.239 299 F CB -0.722 38.301 39.000 0.038 0.000 0.991 299 F HN 0.353 nan 8.300 nan 0.000 0.474 300 Y N 0.632 120.902 120.300 -0.049 0.000 2.352 300 Y HA -0.139 4.412 4.550 0.001 0.000 0.292 300 Y C 2.061 177.834 175.900 -0.211 0.000 1.136 300 Y CA 1.389 59.394 58.100 -0.158 0.000 1.227 300 Y CB -0.766 37.727 38.460 0.054 0.000 0.991 300 Y HN 0.252 nan 8.280 nan 0.000 0.545 301 L N -0.090 120.928 121.223 -0.342 0.000 2.013 301 L HA -0.275 4.065 4.340 0.001 0.000 0.212 301 L C 2.112 178.770 176.870 -0.352 0.000 1.073 301 L CA 2.451 57.011 54.840 -0.466 0.000 0.753 301 L CB -0.799 40.898 42.059 -0.605 0.000 0.890 301 L HN 0.370 nan 8.230 nan 0.000 0.432 302 H N -2.043 116.830 119.070 -0.328 0.000 2.497 302 H HA 0.010 4.566 4.556 0.001 0.000 0.282 302 H C 2.359 177.450 175.328 -0.395 0.000 1.003 302 H CA 0.720 56.549 56.048 -0.365 0.000 1.307 302 H CB 0.098 29.673 29.762 -0.312 0.000 1.437 302 H HN 0.530 nan 8.280 nan 0.000 0.544 303 S N 1.681 117.134 115.700 -0.412 0.000 2.368 303 S HA -0.206 4.264 4.470 0.001 0.000 0.224 303 S C 2.118 176.576 174.600 -0.237 0.000 1.029 303 S CA 1.101 59.036 58.200 -0.441 0.000 0.988 303 S CB -0.178 62.509 63.200 -0.854 0.000 0.838 303 S HN 0.537 nan 8.310 nan 0.000 0.462 304 R N 0.624 120.963 120.500 -0.268 0.000 2.115 304 R HA 0.148 4.489 4.340 0.001 0.000 0.226 304 R C 2.301 178.539 176.300 -0.103 0.000 1.100 304 R CA 1.091 57.080 56.100 -0.185 0.000 0.980 304 R CB -0.795 29.287 30.300 -0.363 0.000 0.875 304 R HN 0.430 nan 8.270 nan 0.000 0.445 305 L N 1.181 122.339 121.223 -0.109 0.000 1.994 305 L HA -0.033 4.308 4.340 0.001 0.000 0.208 305 L C 2.017 178.801 176.870 -0.144 0.000 1.071 305 L CA 1.691 56.442 54.840 -0.148 0.000 0.745 305 L CB -0.237 41.560 42.059 -0.437 0.000 0.892 305 L HN 0.249 nan 8.230 nan 0.000 0.431 306 L N -0.913 120.219 121.223 -0.153 0.000 2.341 306 L HA -0.004 4.336 4.340 0.001 0.000 0.214 306 L C 2.358 179.208 176.870 -0.034 0.000 1.115 306 L CA 0.236 55.026 54.840 -0.084 0.000 0.820 306 L CB -0.495 41.502 42.059 -0.104 0.000 0.944 306 L HN 0.268 nan 8.230 nan 0.000 0.452 307 E N 0.602 120.775 120.200 -0.045 0.000 2.333 307 E HA -0.186 4.165 4.350 0.001 0.000 0.198 307 E C 2.024 178.620 176.600 -0.006 0.000 1.007 307 E CA 0.858 57.247 56.400 -0.020 0.000 0.845 307 E CB 0.074 29.764 29.700 -0.016 0.000 0.766 307 E HN 0.488 nan 8.360 nan 0.000 0.507 308 R N 0.232 120.733 120.500 0.002 0.000 2.200 308 R HA 0.123 4.464 4.340 0.001 0.000 0.208 308 R C 0.876 177.195 176.300 0.032 0.000 1.033 308 R CA 0.302 56.413 56.100 0.018 0.000 1.000 308 R CB 0.195 30.515 30.300 0.034 0.000 0.906 308 R HN -0.086 nan 8.270 nan 0.000 0.462 309 A N 1.445 124.289 122.820 0.040 0.000 2.491 309 A HA 0.546 4.866 4.320 0.001 0.000 0.261 309 A C -0.187 177.409 177.584 0.020 0.000 1.101 309 A CA 0.205 52.267 52.037 0.041 0.000 0.772 309 A CB 0.157 19.188 19.000 0.051 0.000 1.043 309 A HN 0.313 nan 8.150 nan 0.000 0.501 310 A N 2.573 125.403 122.820 0.017 0.000 2.608 310 A HA 0.684 5.004 4.320 0.001 0.000 0.292 310 A C -0.776 176.812 177.584 0.007 0.000 1.066 310 A CA -0.769 51.269 52.037 0.001 0.000 0.676 310 A CB 1.056 20.044 19.000 -0.020 0.000 1.277 310 A HN 0.928 nan 8.150 nan 0.000 0.413 311 K N 1.829 122.231 120.400 0.002 0.000 2.265 311 K HA 0.641 4.962 4.320 0.001 0.000 0.267 311 K C -0.565 176.030 176.600 -0.009 0.000 0.994 311 K CA -0.290 56.006 56.287 0.015 0.000 0.860 311 K CB 0.552 33.068 32.500 0.027 0.000 1.099 311 K HN 0.595 nan 8.250 nan 0.000 0.448 312 M N 3.205 122.803 119.600 -0.004 0.000 2.314 312 M HA 0.227 4.708 4.480 0.001 0.000 0.342 312 M C 0.167 176.487 176.300 0.034 0.000 1.171 312 M CA -0.828 54.464 55.300 -0.013 0.000 1.098 312 M CB 0.593 33.204 32.600 0.019 0.000 1.559 312 M HN 0.793 nan 8.290 nan 0.000 0.459 313 N N 1.147 119.878 118.700 0.052 0.000 2.381 313 N HA 0.071 4.811 4.740 0.001 0.000 0.254 313 N C 0.115 175.706 175.510 0.136 0.000 1.264 313 N CA -0.175 52.932 53.050 0.094 0.000 0.942 313 N CB 0.504 39.050 38.487 0.099 0.000 1.190 313 N HN 0.430 nan 8.380 nan 0.000 0.495 314 D N -0.198 120.259 120.400 0.096 0.000 2.182 314 D HA -0.147 4.494 4.640 0.001 0.000 0.201 314 D C 1.579 177.916 176.300 0.062 0.000 0.986 314 D CA 1.755 55.797 54.000 0.069 0.000 0.847 314 D CB -0.522 40.304 40.800 0.044 0.000 0.942 314 D HN 0.733 nan 8.370 nan 0.000 0.467 315 A N -0.103 122.768 122.820 0.086 0.000 2.070 315 A HA -0.125 4.196 4.320 0.001 0.000 0.220 315 A C 1.556 179.068 177.584 -0.120 0.000 1.159 315 A CA 0.840 52.876 52.037 -0.002 0.000 0.656 315 A CB -0.569 18.444 19.000 0.022 0.000 0.800 315 A HN 0.152 nan 8.150 nan 0.000 0.453 316 F N -1.527 118.411 119.950 -0.020 0.000 2.695 316 F HA 0.392 4.920 4.527 0.001 0.000 0.303 316 F C 1.716 177.490 175.800 -0.044 0.000 1.091 316 F CA 0.615 58.597 58.000 -0.029 0.000 1.300 316 F CB 0.710 39.695 39.000 -0.025 0.000 1.071 316 F HN 0.338 nan 8.300 nan 0.000 0.578 317 G N -0.681 108.168 108.800 0.082 0.000 2.192 317 G HA2 -0.045 3.915 3.960 0.001 0.000 0.193 317 G HA3 -0.045 3.915 3.960 0.001 0.000 0.193 317 G C 1.215 176.121 174.900 0.011 0.000 0.999 317 G CA -0.154 44.955 45.100 0.016 0.000 0.659 317 G HN 0.941 nan 8.290 nan 0.000 0.503 318 G N -0.676 108.149 108.800 0.042 0.000 2.189 318 G HA2 0.140 4.101 3.960 0.001 0.000 0.267 318 G HA3 0.140 4.101 3.960 0.001 0.000 0.267 318 G C 1.553 176.436 174.900 -0.028 0.000 0.975 318 G CA 1.190 46.311 45.100 0.036 0.000 0.644 318 G HN 2.079 nan 8.290 nan 0.000 0.537 319 G N -0.454 108.270 108.800 -0.125 0.000 2.653 319 G HA2 0.695 4.656 3.960 0.001 0.000 0.265 319 G HA3 0.695 4.656 3.960 0.001 0.000 0.265 319 G C 0.314 175.114 174.900 -0.167 0.000 1.237 319 G CA 1.047 45.952 45.100 -0.325 0.000 0.946 319 G HN 1.889 nan 8.290 nan 0.000 0.522 320 S N -1.817 113.793 115.700 -0.149 0.000 2.565 320 S HA 0.561 5.031 4.470 0.001 0.000 0.269 320 S C -1.598 173.038 174.600 0.060 0.000 1.153 320 S CA -0.813 57.410 58.200 0.037 0.000 0.835 320 S CB 1.874 65.185 63.200 0.185 0.000 1.122 320 S HN 1.063 nan 8.310 nan 0.000 0.462 321 L N 1.780 123.039 121.223 0.060 0.000 2.376 321 L HA 0.743 5.083 4.340 0.001 0.000 0.275 321 L C -0.676 176.221 176.870 0.045 0.000 0.987 321 L CA 0.253 55.132 54.840 0.064 0.000 0.828 321 L CB 1.742 43.843 42.059 0.069 0.000 1.249 321 L HN 0.942 nan 8.230 nan 0.000 0.409 322 T N 4.234 118.806 114.554 0.031 0.000 2.824 322 T HA 0.857 5.207 4.350 0.001 0.000 0.280 322 T C -0.454 174.239 174.700 -0.012 0.000 0.995 322 T CA -0.288 61.820 62.100 0.012 0.000 1.009 322 T CB 1.462 70.332 68.868 0.003 0.000 0.955 322 T HN 0.789 nan 8.240 nan 0.000 0.452 323 A N 3.163 125.981 122.820 -0.003 0.000 2.355 323 A HA 0.787 5.108 4.320 0.001 0.000 0.317 323 A C -0.829 176.747 177.584 -0.014 0.000 1.094 323 A CA -0.750 51.276 52.037 -0.019 0.000 0.764 323 A CB 0.712 19.770 19.000 0.096 0.000 1.230 323 A HN 0.835 nan 8.150 nan 0.000 0.448 324 L N 4.226 125.415 121.223 -0.057 0.000 2.408 324 L HA 0.361 4.701 4.340 0.001 0.000 0.257 324 L C -2.373 174.486 176.870 -0.018 0.000 1.053 324 L CA -1.751 53.073 54.840 -0.027 0.000 0.922 324 L CB 1.559 43.601 42.059 -0.029 0.000 1.261 324 L HN 0.479 nan 8.230 nan 0.000 0.458 325 P HA 0.191 nan 4.420 nan 0.000 0.274 325 P C -0.608 176.688 177.300 -0.008 0.000 1.237 325 P CA -0.255 62.889 63.100 0.073 0.000 0.793 325 P CB 2.040 33.741 31.700 0.002 0.000 0.977 326 V N 3.385 123.282 119.914 -0.029 0.000 2.495 326 V HA 0.390 4.511 4.120 0.001 0.000 0.298 326 V C 0.285 176.353 176.094 -0.043 0.000 1.031 326 V CA -0.591 61.694 62.300 -0.024 0.000 0.871 326 V CB 1.668 33.483 31.823 -0.014 0.000 0.988 326 V HN 0.406 nan 8.190 nan 0.000 0.432 327 I N 3.373 123.930 120.570 -0.021 0.000 2.465 327 I HA 0.439 4.609 4.170 0.001 0.000 0.291 327 I C 0.054 176.186 176.117 0.024 0.000 1.014 327 I CA -0.386 60.904 61.300 -0.016 0.000 1.093 327 I CB 2.087 40.069 38.000 -0.031 0.000 1.267 327 I HN 0.745 nan 8.210 nan 0.000 0.431 328 E N 4.958 125.177 120.200 0.032 0.000 2.146 328 E HA 0.333 4.684 4.350 0.001 0.000 0.282 328 E C -0.456 176.182 176.600 0.064 0.000 0.989 328 E CA -0.351 56.078 56.400 0.049 0.000 0.799 328 E CB 1.126 30.854 29.700 0.046 0.000 1.088 328 E HN 0.706 nan 8.360 nan 0.000 0.397 329 T N 1.847 116.453 114.554 0.086 0.000 2.862 329 T HA 0.343 4.693 4.350 0.001 0.000 0.276 329 T C -0.079 174.674 174.700 0.088 0.000 0.974 329 T CA -0.989 61.168 62.100 0.095 0.000 0.966 329 T CB 1.415 70.371 68.868 0.148 0.000 1.072 329 T HN 0.332 nan 8.240 nan 0.000 0.538 330 Q N 0.059 119.911 119.800 0.087 0.000 2.330 330 Q HA 0.560 4.900 4.340 0.001 0.000 0.269 330 Q C 0.278 176.328 176.000 0.083 0.000 1.022 330 Q CA -0.304 55.546 55.803 0.078 0.000 0.796 330 Q CB 1.503 30.286 28.738 0.076 0.000 1.271 330 Q HN 1.255 nan 8.270 nan 0.000 0.450 331 A N 1.997 124.864 122.820 0.078 0.000 2.832 331 A HA -0.159 4.161 4.320 0.001 0.000 0.280 331 A C 1.118 178.766 177.584 0.107 0.000 1.464 331 A CA 1.584 53.669 52.037 0.080 0.000 0.804 331 A CB -2.146 16.895 19.000 0.068 0.000 1.020 331 A HN 1.675 nan 8.150 nan 0.000 0.563 332 G N -1.380 107.506 108.800 0.143 0.000 2.155 332 G HA2 -0.207 3.753 3.960 0.001 0.000 0.257 332 G HA3 -0.207 3.753 3.960 0.001 0.000 0.257 332 G C -0.048 175.003 174.900 0.252 0.000 0.983 332 G CA 1.050 46.297 45.100 0.245 0.000 0.676 332 G HN 1.637 nan 8.290 nan 0.000 0.528 333 D N 0.787 121.268 120.400 0.135 0.000 2.483 333 D HA 0.427 5.068 4.640 0.001 0.000 0.220 333 D C 1.876 178.163 176.300 -0.023 0.000 1.173 333 D CA 0.228 54.261 54.000 0.055 0.000 0.964 333 D CB 0.473 41.304 40.800 0.052 0.000 1.046 333 D HN 0.403 nan 8.370 nan 0.000 0.517 334 V N 1.087 120.893 119.914 -0.181 0.000 2.809 334 V HA -0.070 4.050 4.120 0.001 0.000 0.256 334 V C 1.983 177.960 176.094 -0.194 0.000 1.080 334 V CA 0.753 62.848 62.300 -0.340 0.000 1.102 334 V CB -0.475 30.866 31.823 -0.802 0.000 0.705 334 V HN 0.300 nan 8.190 nan 0.000 0.475 335 S N 0.222 115.849 115.700 -0.123 0.000 2.607 335 S HA 0.440 4.911 4.470 0.001 0.000 0.224 335 S C 1.250 175.844 174.600 -0.009 0.000 0.969 335 S CA 0.417 58.580 58.200 -0.061 0.000 0.927 335 S CB -0.452 62.724 63.200 -0.039 0.000 0.772 335 S HN 0.827 nan 8.310 nan 0.000 0.533 336 A N 0.291 123.114 122.820 0.004 0.000 2.346 336 A HA 0.334 4.655 4.320 0.001 0.000 0.255 336 A C 0.882 178.519 177.584 0.088 0.000 1.113 336 A CA -0.154 51.917 52.037 0.057 0.000 0.798 336 A CB -0.234 18.804 19.000 0.063 0.000 1.073 336 A HN 0.412 nan 8.150 nan 0.000 0.502 337 Y N 0.460 120.755 120.300 -0.008 0.000 2.089 337 Y HA -0.204 4.347 4.550 0.001 0.000 0.282 337 Y C 1.800 177.684 175.900 -0.027 0.000 1.139 337 Y CA 2.398 60.490 58.100 -0.013 0.000 1.123 337 Y CB -0.568 37.889 38.460 -0.005 0.000 0.980 337 Y HN 0.470 nan 8.280 nan 0.000 0.493 338 I N 0.431 120.834 120.570 -0.280 0.000 2.179 338 I HA -0.196 3.975 4.170 0.001 0.000 0.242 338 I C -0.715 175.289 176.117 -0.188 0.000 1.088 338 I CA 1.351 62.419 61.300 -0.387 0.000 1.357 338 I CB -1.689 36.104 38.000 -0.344 0.000 1.051 338 I HN 0.188 nan 8.210 nan 0.000 0.409 339 P HA -0.208 nan 4.420 nan 0.000 0.215 339 P C 1.754 179.014 177.300 -0.067 0.000 1.163 339 P CA 2.517 65.576 63.100 -0.069 0.000 0.894 339 P CB -0.425 31.240 31.700 -0.058 0.000 0.791 340 T N -3.780 110.739 114.554 -0.058 0.000 2.821 340 T HA -0.125 4.225 4.350 0.001 0.000 0.267 340 T C 1.722 176.415 174.700 -0.012 0.000 1.046 340 T CA 1.242 63.322 62.100 -0.032 0.000 1.139 340 T CB -1.210 67.654 68.868 -0.007 0.000 0.871 340 T HN -0.045 nan 8.240 nan 0.000 0.454 341 N N 1.466 120.133 118.700 -0.055 0.000 2.060 341 N HA -0.094 4.646 4.740 0.001 0.000 0.195 341 N C 1.881 177.460 175.510 0.115 0.000 1.028 341 N CA 1.437 54.507 53.050 0.032 0.000 0.861 341 N CB -0.822 37.604 38.487 -0.102 0.000 1.029 341 N HN 0.379 nan 8.380 nan 0.000 0.428 342 V N 0.946 120.874 119.914 0.024 0.000 2.488 342 V HA -0.058 4.062 4.120 0.001 0.000 0.246 342 V C 2.186 178.285 176.094 0.008 0.000 1.046 342 V CA 0.837 63.140 62.300 0.004 0.000 1.053 342 V CB -0.339 31.447 31.823 -0.062 0.000 0.679 342 V HN 0.227 nan 8.190 nan 0.000 0.458 343 I N 1.496 122.068 120.570 0.003 0.000 2.264 343 I HA -0.222 3.948 4.170 0.001 0.000 0.248 343 I C 2.483 178.621 176.117 0.036 0.000 1.111 343 I CA 1.905 63.208 61.300 0.004 0.000 1.382 343 I CB -0.395 37.593 38.000 -0.020 0.000 1.060 343 I HN 0.476 nan 8.210 nan 0.000 0.418 344 S N 0.073 115.817 115.700 0.073 0.000 2.607 344 S HA 0.079 4.549 4.470 0.001 0.000 0.224 344 S C 1.569 176.278 174.600 0.182 0.000 0.969 344 S CA 0.392 58.662 58.200 0.117 0.000 0.927 344 S CB -0.411 62.861 63.200 0.120 0.000 0.772 344 S HN 0.446 nan 8.310 nan 0.000 0.533 345 I N 1.491 122.139 120.570 0.129 0.000 3.039 345 I HA 0.068 4.238 4.170 0.001 0.000 0.270 345 I C 1.426 177.561 176.117 0.031 0.000 1.150 345 I CA 0.580 61.923 61.300 0.072 0.000 1.448 345 I CB -0.260 37.720 38.000 -0.035 0.000 1.197 345 I HN 0.347 nan 8.210 nan 0.000 0.450 346 T N -1.684 112.880 114.554 0.017 0.000 2.816 346 T HA 0.127 4.478 4.350 0.001 0.000 0.282 346 T C 0.201 174.911 174.700 0.017 0.000 0.993 346 T CA -0.529 61.577 62.100 0.009 0.000 0.994 346 T CB 0.763 69.632 68.868 0.001 0.000 1.025 346 T HN 0.010 nan 8.240 nan 0.000 0.529 347 D N 0.869 121.278 120.400 0.014 0.000 2.881 347 D HA 0.434 5.074 4.640 0.001 0.000 0.240 347 D C 0.926 177.235 176.300 0.015 0.000 1.249 347 D CA 0.315 54.324 54.000 0.015 0.000 0.839 347 D CB -0.469 40.339 40.800 0.012 0.000 1.042 347 D HN 1.014 nan 8.370 nan 0.000 0.475 348 G N 1.136 109.946 108.800 0.016 0.000 2.355 348 G HA2 0.164 4.125 3.960 0.001 0.000 0.619 348 G HA3 0.164 4.125 3.960 0.001 0.000 0.619 348 G C -1.645 173.268 174.900 0.021 0.000 1.337 348 G CA -0.988 44.123 45.100 0.019 0.000 0.993 348 G HN 0.165 nan 8.290 nan 0.000 0.599 349 Q N -0.740 119.079 119.800 0.031 0.000 2.435 349 Q HA 0.670 5.011 4.340 0.001 0.000 0.282 349 Q C -1.643 174.400 176.000 0.071 0.000 1.020 349 Q CA -0.961 54.869 55.803 0.045 0.000 0.820 349 Q CB 1.906 30.666 28.738 0.037 0.000 1.436 349 Q HN 0.927 nan 8.270 nan 0.000 0.395 350 I N 2.487 123.108 120.570 0.086 0.000 2.359 350 I HA 0.320 4.491 4.170 0.001 0.000 0.284 350 I C -0.883 175.336 176.117 0.171 0.000 1.018 350 I CA -0.728 60.633 61.300 0.102 0.000 1.173 350 I CB 0.878 38.914 38.000 0.061 0.000 1.326 350 I HN 0.476 nan 8.210 nan 0.000 0.462 351 F N 8.278 128.235 119.950 0.013 0.000 2.405 351 F HA 0.577 5.105 4.527 0.001 0.000 0.355 351 F C -0.816 174.995 175.800 0.018 0.000 1.121 351 F CA -0.947 57.061 58.000 0.013 0.000 1.112 351 F CB 0.596 39.605 39.000 0.015 0.000 1.126 351 F HN 0.182 nan 8.300 nan 0.000 0.481 352 L N 5.659 126.682 121.223 -0.334 0.000 2.325 352 L HA 0.539 4.879 4.340 0.001 0.000 0.278 352 L C -0.442 176.041 176.870 -0.645 0.000 1.023 352 L CA -0.645 53.962 54.840 -0.388 0.000 0.811 352 L CB 1.738 43.703 42.059 -0.156 0.000 1.249 352 L HN 0.538 nan 8.230 nan 0.000 0.431 353 E N -0.265 119.655 120.200 -0.467 0.000 2.266 353 E HA 0.219 4.570 4.350 0.001 0.000 0.268 353 E C 0.247 176.757 176.600 -0.151 0.000 0.879 353 E CA -0.312 55.868 56.400 -0.367 0.000 0.762 353 E CB 2.232 31.728 29.700 -0.341 0.000 1.199 353 E HN 0.742 nan 8.360 nan 0.000 0.422 354 T N -0.552 113.941 114.554 -0.102 0.000 2.821 354 T HA -0.196 4.154 4.350 0.001 0.000 0.267 354 T C 1.547 176.303 174.700 0.094 0.000 1.046 354 T CA 1.273 63.338 62.100 -0.058 0.000 1.139 354 T CB 0.005 68.882 68.868 0.014 0.000 0.871 354 T HN 0.573 nan 8.240 nan 0.000 0.454 355 E N 1.131 121.390 120.200 0.098 0.000 2.058 355 E HA -0.123 4.227 4.350 0.001 0.000 0.194 355 E C 2.193 178.860 176.600 0.112 0.000 0.997 355 E CA 1.059 57.539 56.400 0.134 0.000 0.801 355 E CB -0.357 29.396 29.700 0.088 0.000 0.746 355 E HN 0.563 nan 8.360 nan 0.000 0.450 356 L N -0.003 121.251 121.223 0.052 0.000 1.989 356 L HA -0.176 4.165 4.340 0.001 0.000 0.211 356 L C 2.528 179.418 176.870 0.034 0.000 1.071 356 L CA 1.457 56.315 54.840 0.030 0.000 0.749 356 L CB -0.656 41.396 42.059 -0.011 0.000 0.890 356 L HN 0.236 nan 8.230 nan 0.000 0.431 357 F N 0.106 119.968 119.950 -0.147 0.000 2.043 357 F HA -0.359 4.168 4.527 0.001 0.000 0.297 357 F C 2.421 178.091 175.800 -0.217 0.000 1.118 357 F CA 1.911 59.766 58.000 -0.242 0.000 1.202 357 F CB -0.482 38.272 39.000 -0.411 0.000 0.965 357 F HN -0.061 nan 8.300 nan 0.000 0.482 358 Y N -0.116 120.329 120.300 0.241 0.000 2.293 358 Y HA -0.144 4.407 4.550 0.001 0.000 0.291 358 Y C 2.267 178.176 175.900 0.016 0.000 1.137 358 Y CA 1.095 59.271 58.100 0.126 0.000 1.202 358 Y CB -0.316 38.236 38.460 0.154 0.000 0.990 358 Y HN -0.011 nan 8.280 nan 0.000 0.537 359 K N -0.525 119.963 120.400 0.146 0.000 2.442 359 K HA -0.017 4.303 4.320 0.001 0.000 0.198 359 K C 1.352 177.959 176.600 0.011 0.000 1.042 359 K CA 0.874 57.205 56.287 0.073 0.000 0.958 359 K CB -0.137 32.400 32.500 0.061 0.000 0.766 359 K HN 0.479 nan 8.250 nan 0.000 0.474 360 G N 0.940 109.706 108.800 -0.058 0.000 2.168 360 G HA2 -0.161 3.799 3.960 0.001 0.000 0.197 360 G HA3 -0.161 3.799 3.960 0.001 0.000 0.197 360 G C 0.035 174.863 174.900 -0.119 0.000 0.997 360 G CA -0.500 44.532 45.100 -0.113 0.000 0.658 360 G HN 0.130 nan 8.290 nan 0.000 0.513 361 I N 1.985 122.497 120.570 -0.096 0.000 2.293 361 I HA 0.333 4.504 4.170 0.001 0.000 0.299 361 I C 0.556 176.600 176.117 -0.121 0.000 1.153 361 I CA 0.339 61.594 61.300 -0.075 0.000 1.302 361 I CB -0.344 37.640 38.000 -0.027 0.000 1.460 361 I HN 0.136 nan 8.210 nan 0.000 0.552 362 R N 7.167 127.579 120.500 -0.146 0.000 2.538 362 R HA 0.430 4.771 4.340 0.001 0.000 0.292 362 R C -2.660 173.583 176.300 -0.095 0.000 1.008 362 R CA -1.759 54.244 56.100 -0.161 0.000 0.896 362 R CB 2.346 32.457 30.300 -0.315 0.000 1.187 362 R HN 0.257 nan 8.270 nan 0.000 0.440 363 P HA -0.021 nan 4.420 nan 0.000 0.266 363 P C -0.317 176.970 177.300 -0.022 0.000 1.195 363 P CA -0.076 63.007 63.100 -0.030 0.000 0.768 363 P CB 0.805 32.494 31.700 -0.019 0.000 0.838 364 A N 4.373 127.198 122.820 0.008 0.000 3.117 364 A HA 0.230 4.550 4.320 0.001 0.000 0.255 364 A C 0.689 178.243 177.584 -0.050 0.000 1.583 364 A CA -0.423 51.612 52.037 -0.004 0.000 1.234 364 A CB -1.366 17.677 19.000 0.071 0.000 1.076 364 A HN 0.476 nan 8.150 nan 0.000 0.653 365 I N 1.281 121.832 120.570 -0.030 0.000 2.416 365 I HA 0.041 4.211 4.170 0.001 0.000 0.288 365 I C 0.504 176.613 176.117 -0.014 0.000 1.051 365 I CA -0.387 60.898 61.300 -0.025 0.000 1.375 365 I CB 0.667 38.672 38.000 0.007 0.000 1.407 365 I HN 0.378 nan 8.210 nan 0.000 0.516 366 N N 6.123 124.812 118.700 -0.020 0.000 2.411 366 N HA 0.078 4.819 4.740 0.001 0.000 0.259 366 N C 0.611 176.181 175.510 0.100 0.000 1.103 366 N CA -0.024 53.056 53.050 0.051 0.000 0.954 366 N CB 1.582 40.134 38.487 0.107 0.000 1.085 366 N HN 0.393 nan 8.380 nan 0.000 0.485 367 V N 4.042 124.004 119.914 0.081 0.000 2.302 367 V HA -0.049 4.072 4.120 0.001 0.000 0.243 367 V C 2.389 178.531 176.094 0.079 0.000 1.036 367 V CA 1.984 64.329 62.300 0.075 0.000 1.020 367 V CB -1.050 30.814 31.823 0.070 0.000 0.657 367 V HN 0.769 nan 8.190 nan 0.000 0.453 368 G N -0.182 108.666 108.800 0.079 0.000 2.450 368 G HA2 -0.187 3.773 3.960 0.001 0.000 0.220 368 G HA3 -0.187 3.773 3.960 0.001 0.000 0.220 368 G C 1.552 176.496 174.900 0.073 0.000 1.130 368 G CA 0.867 46.007 45.100 0.066 0.000 0.760 368 G HN 0.464 nan 8.290 nan 0.000 0.557 369 L N 0.608 121.899 121.223 0.114 0.000 2.375 369 L HA 0.154 4.494 4.340 0.001 0.000 0.215 369 L C 1.022 177.958 176.870 0.110 0.000 1.108 369 L CA -0.119 54.789 54.840 0.113 0.000 0.830 369 L CB -0.033 42.145 42.059 0.200 0.000 0.959 369 L HN 0.053 nan 8.230 nan 0.000 0.457 370 S N 0.165 115.945 115.700 0.133 0.000 2.601 370 S HA 0.478 4.949 4.470 0.001 0.000 0.271 370 S C -0.184 174.454 174.600 0.063 0.000 1.305 370 S CA -0.543 57.720 58.200 0.106 0.000 1.022 370 S CB 1.930 65.193 63.200 0.106 0.000 0.940 370 S HN 0.115 nan 8.310 nan 0.000 0.525 371 V N -0.936 119.007 119.914 0.048 0.000 3.178 371 V HA 0.863 4.983 4.120 0.001 0.000 0.302 371 V C -0.646 175.464 176.094 0.028 0.000 1.262 371 V CA -0.801 61.519 62.300 0.033 0.000 1.030 371 V CB 1.765 33.602 31.823 0.024 0.000 1.074 371 V HN 0.730 nan 8.190 nan 0.000 0.438 372 S N 1.492 117.205 115.700 0.022 0.000 2.482 372 S HA 0.597 5.067 4.470 0.001 0.000 0.303 372 S C 0.448 175.056 174.600 0.014 0.000 1.091 372 S CA -0.800 57.410 58.200 0.017 0.000 1.057 372 S CB 1.720 64.928 63.200 0.014 0.000 1.031 372 S HN 0.861 nan 8.310 nan 0.000 0.485 373 R N 3.130 123.638 120.500 0.013 0.000 2.359 373 R HA 0.190 4.531 4.340 0.001 0.000 0.231 373 R C 0.673 176.978 176.300 0.008 0.000 0.913 373 R CA 0.225 56.331 56.100 0.011 0.000 1.075 373 R CB 0.123 30.431 30.300 0.013 0.000 1.087 373 R HN 0.487 nan 8.270 nan 0.000 0.515 374 V N -0.451 119.467 119.914 0.007 0.000 3.379 374 V HA 0.174 4.294 4.120 0.001 0.000 0.249 374 V C 1.360 177.456 176.094 0.003 0.000 1.184 374 V CA 0.875 63.177 62.300 0.004 0.000 1.106 374 V CB 0.292 32.116 31.823 0.001 0.000 0.826 374 V HN 0.588 nan 8.190 nan 0.000 0.465 375 G N 1.590 110.392 108.800 0.004 0.000 2.574 375 G HA2 -0.384 3.577 3.960 0.001 0.000 0.282 375 G HA3 -0.384 3.577 3.960 0.001 0.000 0.282 375 G C 1.135 176.035 174.900 0.001 0.000 1.257 375 G CA 1.006 46.109 45.100 0.004 0.000 0.956 375 G HN 0.943 nan 8.290 nan 0.000 0.560 376 S N -0.099 115.602 115.700 0.001 0.000 2.469 376 S HA 0.162 4.633 4.470 0.001 0.000 0.238 376 S C 2.540 177.138 174.600 -0.003 0.000 0.998 376 S CA 1.784 59.983 58.200 -0.000 0.000 0.957 376 S CB -0.444 62.756 63.200 0.001 0.000 0.764 376 S HN 2.117 nan 8.310 nan 0.000 0.514 377 A N 1.156 123.973 122.820 -0.004 0.000 2.125 377 A HA 0.407 4.727 4.320 0.001 0.000 0.219 377 A C 2.109 179.686 177.584 -0.012 0.000 1.156 377 A CA 1.262 53.295 52.037 -0.006 0.000 0.671 377 A CB -0.833 18.164 19.000 -0.004 0.000 0.794 377 A HN 0.940 nan 8.150 nan 0.000 0.459 378 A N -1.262 121.550 122.820 -0.013 0.000 2.465 378 A HA 0.378 4.698 4.320 0.001 0.000 0.255 378 A C 0.618 178.188 177.584 -0.023 0.000 1.274 378 A CA -0.281 51.743 52.037 -0.021 0.000 0.920 378 A CB 0.066 19.055 19.000 -0.018 0.000 1.033 378 A HN 0.585 nan 8.150 nan 0.000 0.516 379 Q N 0.577 120.368 119.800 -0.016 0.000 2.257 379 Q HA 0.445 4.785 4.340 0.001 0.000 0.262 379 Q C -0.074 175.918 176.000 -0.014 0.000 0.997 379 Q CA -0.566 55.230 55.803 -0.012 0.000 0.873 379 Q CB 1.506 30.243 28.738 -0.002 0.000 1.312 379 Q HN 0.448 nan 8.270 nan 0.000 0.450 380 T N -1.789 112.758 114.554 -0.012 0.000 2.900 380 T HA 0.083 4.433 4.350 0.001 0.000 0.307 380 T C 0.944 175.644 174.700 0.000 0.000 1.065 380 T CA -0.445 61.649 62.100 -0.009 0.000 1.105 380 T CB 0.989 69.853 68.868 -0.005 0.000 0.979 380 T HN 0.752 nan 8.240 nan 0.000 0.544 381 R N 1.303 121.803 120.500 0.001 0.000 2.117 381 R HA -0.157 4.184 4.340 0.001 0.000 0.243 381 R C 2.485 178.795 176.300 0.017 0.000 1.143 381 R CA 1.804 57.909 56.100 0.008 0.000 0.968 381 R CB -1.042 29.262 30.300 0.007 0.000 0.863 381 R HN 0.857 nan 8.270 nan 0.000 0.444 382 A N 0.389 123.220 122.820 0.018 0.000 1.877 382 A HA -0.200 4.121 4.320 0.001 0.000 0.216 382 A C 2.103 179.710 177.584 0.039 0.000 1.186 382 A CA 1.640 53.696 52.037 0.030 0.000 0.620 382 A CB -0.546 18.468 19.000 0.023 0.000 0.822 382 A HN 0.461 nan 8.150 nan 0.000 0.443 383 M N 0.006 119.623 119.600 0.028 0.000 2.159 383 M HA -0.077 4.404 4.480 0.001 0.000 0.263 383 M C 1.912 178.226 176.300 0.024 0.000 1.063 383 M CA 1.964 57.281 55.300 0.029 0.000 1.110 383 M CB -0.495 32.117 32.600 0.020 0.000 1.374 383 M HN 0.416 nan 8.290 nan 0.000 0.411 384 K N -0.412 119.998 120.400 0.017 0.000 2.026 384 K HA -0.215 4.106 4.320 0.001 0.000 0.208 384 K C 1.959 178.568 176.600 0.016 0.000 1.048 384 K CA 1.900 58.194 56.287 0.013 0.000 0.929 384 K CB -0.210 32.294 32.500 0.008 0.000 0.713 384 K HN 0.550 nan 8.250 nan 0.000 0.439 385 Q N 0.068 119.883 119.800 0.026 0.000 2.181 385 Q HA -0.149 4.192 4.340 0.001 0.000 0.205 385 Q C 2.037 178.056 176.000 0.031 0.000 0.980 385 Q CA 1.870 57.693 55.803 0.032 0.000 0.862 385 Q CB -0.005 28.764 28.738 0.053 0.000 0.905 385 Q HN 0.381 nan 8.270 nan 0.000 0.429 386 V N -4.463 115.476 119.914 0.043 0.000 3.125 386 V HA 0.304 4.425 4.120 0.001 0.000 0.249 386 V C 1.512 177.607 176.094 0.001 0.000 1.113 386 V CA 1.001 63.318 62.300 0.030 0.000 1.106 386 V CB 0.225 32.098 31.823 0.084 0.000 0.768 386 V HN 0.167 nan 8.190 nan 0.000 0.468 387 A N 0.584 123.409 122.820 0.007 0.000 2.390 387 A HA 0.540 4.860 4.320 0.001 0.000 0.232 387 A C 2.025 179.606 177.584 -0.005 0.000 1.233 387 A CA 0.663 52.699 52.037 -0.000 0.000 0.907 387 A CB -0.441 18.564 19.000 0.008 0.000 0.967 387 A HN 0.592 nan 8.150 nan 0.000 0.512 388 G N 0.720 109.517 108.800 -0.005 0.000 2.469 388 G HA2 -0.240 3.720 3.960 0.001 0.000 0.220 388 G HA3 -0.240 3.720 3.960 0.001 0.000 0.220 388 G C 1.453 176.349 174.900 -0.008 0.000 1.136 388 G CA 2.022 47.119 45.100 -0.005 0.000 0.759 388 G HN 0.781 nan 8.290 nan 0.000 0.562 389 T N -3.161 111.385 114.554 -0.015 0.000 3.044 389 T HA 0.348 4.699 4.350 0.001 0.000 0.260 389 T C 2.030 176.722 174.700 -0.014 0.000 1.019 389 T CA 0.193 62.284 62.100 -0.014 0.000 0.921 389 T CB 0.212 69.067 68.868 -0.021 0.000 1.053 389 T HN 0.140 nan 8.240 nan 0.000 0.533 390 M N 1.046 120.637 119.600 -0.016 0.000 2.117 390 M HA -0.003 4.478 4.480 0.001 0.000 0.262 390 M C 2.479 178.779 176.300 0.000 0.000 1.065 390 M CA 1.519 56.809 55.300 -0.017 0.000 1.114 390 M CB -0.182 32.406 32.600 -0.020 0.000 1.361 390 M HN 0.195 nan 8.290 nan 0.000 0.408 391 K N 0.450 120.854 120.400 0.007 0.000 2.009 391 K HA -0.191 4.130 4.320 0.001 0.000 0.210 391 K C 1.806 178.422 176.600 0.026 0.000 1.049 391 K CA 1.531 57.829 56.287 0.020 0.000 0.929 391 K CB -0.314 32.197 32.500 0.019 0.000 0.714 391 K HN 0.372 nan 8.250 nan 0.000 0.440 392 L N 0.494 121.728 121.223 0.017 0.000 2.083 392 L HA -0.188 4.152 4.340 0.001 0.000 0.209 392 L C 2.580 179.465 176.870 0.026 0.000 1.083 392 L CA 1.358 56.209 54.840 0.018 0.000 0.752 392 L CB -0.489 41.575 42.059 0.009 0.000 0.899 392 L HN 0.397 nan 8.230 nan 0.000 0.433 393 E N 0.664 120.876 120.200 0.020 0.000 2.058 393 E HA -0.231 4.119 4.350 0.001 0.000 0.194 393 E C 2.364 179.008 176.600 0.072 0.000 0.997 393 E CA 1.150 57.566 56.400 0.027 0.000 0.801 393 E CB -0.005 29.693 29.700 -0.003 0.000 0.746 393 E HN 0.439 nan 8.360 nan 0.000 0.450 394 L N 0.030 121.297 121.223 0.073 0.000 2.217 394 L HA -0.077 4.263 4.340 0.001 0.000 0.211 394 L C 2.523 179.491 176.870 0.164 0.000 1.107 394 L CA 0.677 55.602 54.840 0.142 0.000 0.783 394 L CB -0.303 41.811 42.059 0.092 0.000 0.919 394 L HN 0.216 nan 8.230 nan 0.000 0.442 395 A N -0.688 122.186 122.820 0.091 0.000 1.877 395 A HA -0.211 4.110 4.320 0.001 0.000 0.216 395 A C 2.237 179.847 177.584 0.043 0.000 1.186 395 A CA 1.216 53.289 52.037 0.060 0.000 0.620 395 A CB -0.336 18.687 19.000 0.039 0.000 0.822 395 A HN 0.335 nan 8.150 nan 0.000 0.443 396 Q N -1.598 118.233 119.800 0.051 0.000 2.119 396 Q HA -0.174 4.167 4.340 0.001 0.000 0.201 396 Q C 1.914 177.945 176.000 0.050 0.000 0.972 396 Q CA 1.740 57.562 55.803 0.033 0.000 0.847 396 Q CB -0.530 28.225 28.738 0.029 0.000 0.903 396 Q HN 0.888 nan 8.270 nan 0.000 0.433 397 Y N 1.528 121.823 120.300 -0.008 0.000 2.128 397 Y HA -0.235 4.316 4.550 0.001 0.000 0.284 397 Y C 2.152 178.053 175.900 0.002 0.000 1.154 397 Y CA 1.826 59.922 58.100 -0.007 0.000 1.149 397 Y CB -0.178 38.275 38.460 -0.012 0.000 0.976 397 Y HN -0.048 nan 8.280 nan 0.000 0.505 398 R N 0.303 120.598 120.500 -0.341 0.000 2.092 398 R HA -0.142 4.198 4.340 0.001 0.000 0.231 398 R C 2.403 178.560 176.300 -0.239 0.000 1.119 398 R CA 1.321 57.176 56.100 -0.408 0.000 0.970 398 R CB -0.404 29.806 30.300 -0.149 0.000 0.864 398 R HN 0.378 nan 8.270 nan 0.000 0.440 399 E N 0.776 120.901 120.200 -0.124 0.000 2.031 399 E HA -0.154 4.197 4.350 0.001 0.000 0.193 399 E C 1.885 178.453 176.600 -0.054 0.000 0.994 399 E CA 1.569 57.930 56.400 -0.065 0.000 0.800 399 E CB 0.056 29.731 29.700 -0.042 0.000 0.752 399 E HN 0.136 nan 8.360 nan 0.000 0.447 400 V N 1.535 121.407 119.914 -0.070 0.000 2.427 400 V HA -0.205 3.916 4.120 0.001 0.000 0.248 400 V C 2.663 178.723 176.094 -0.056 0.000 1.051 400 V CA 1.573 63.863 62.300 -0.017 0.000 1.048 400 V CB -1.007 30.816 31.823 -0.001 0.000 0.666 400 V HN 0.341 nan 8.190 nan 0.000 0.456 401 A N 0.383 123.081 122.820 -0.203 0.000 1.917 401 A HA -0.205 4.115 4.320 0.001 0.000 0.219 401 A C 2.443 179.935 177.584 -0.153 0.000 1.182 401 A CA 2.435 54.334 52.037 -0.230 0.000 0.633 401 A CB -0.825 17.895 19.000 -0.467 0.000 0.819 401 A HN 0.580 nan 8.150 nan 0.000 0.448 402 A N -1.433 121.317 122.820 -0.117 0.000 1.855 402 A HA -0.021 4.299 4.320 0.001 0.000 0.215 402 A C 2.067 179.626 177.584 -0.042 0.000 1.191 402 A CA 1.598 53.600 52.037 -0.057 0.000 0.613 402 A CB -0.770 18.221 19.000 -0.016 0.000 0.829 402 A HN 0.659 nan 8.150 nan 0.000 0.442 403 F N 1.029 120.893 119.950 -0.144 0.000 2.161 403 F HA -0.077 4.451 4.527 0.001 0.000 0.300 403 F C 2.387 177.964 175.800 -0.372 0.000 1.089 403 F CA 1.099 58.999 58.000 -0.165 0.000 1.282 403 F CB -0.238 38.698 39.000 -0.106 0.000 1.010 403 F HN 0.226 nan 8.300 nan 0.000 0.485 404 A N -0.507 122.127 122.820 -0.311 0.000 2.119 404 A HA -0.148 4.172 4.320 0.001 0.000 0.217 404 A C 2.069 179.256 177.584 -0.661 0.000 1.153 404 A CA 0.985 52.736 52.037 -0.476 0.000 0.692 404 A CB -0.834 18.049 19.000 -0.195 0.000 0.799 404 A HN 0.575 nan 8.150 nan 0.000 0.458 405 Q N -0.321 119.168 119.800 -0.519 0.000 2.188 405 Q HA -0.246 4.095 4.340 0.001 0.000 0.217 405 Q C 0.034 175.916 176.000 -0.196 0.000 1.018 405 Q CA 2.044 57.683 55.803 -0.274 0.000 0.910 405 Q CB -0.500 28.172 28.738 -0.110 0.000 0.979 405 Q HN 0.798 nan 8.270 nan 0.000 0.413 406 F N -0.497 119.396 119.950 -0.096 0.000 2.404 406 F HA 0.487 5.015 4.527 0.001 0.000 0.359 406 F C 0.695 176.451 175.800 -0.074 0.000 1.134 406 F CA -0.723 57.229 58.000 -0.080 0.000 1.160 406 F CB 0.289 39.233 39.000 -0.092 0.000 1.186 406 F HN -0.080 nan 8.300 nan 0.000 0.526 407 G N 3.120 111.930 108.800 0.017 0.000 2.662 407 G HA2 0.264 4.225 3.960 0.001 0.000 0.285 407 G HA3 0.264 4.225 3.960 0.001 0.000 0.285 407 G C -0.098 174.820 174.900 0.030 0.000 0.672 407 G CA -0.093 44.998 45.100 -0.015 0.000 2.098 407 G HN 0.893 nan 8.290 nan 0.000 0.538 408 S N 1.988 117.703 115.700 0.024 0.000 2.478 408 S HA 0.359 4.830 4.470 0.001 0.000 0.312 408 S C 0.053 174.670 174.600 0.029 0.000 1.094 408 S CA -0.815 57.429 58.200 0.073 0.000 1.081 408 S CB 1.613 64.931 63.200 0.197 0.000 1.007 408 S HN 0.647 nan 8.310 nan 0.000 0.475 409 D N 2.924 123.343 120.400 0.032 0.000 8.267 409 D HA -0.217 4.424 4.640 0.001 0.000 0.138 409 D C -0.604 175.709 176.300 0.023 0.000 1.262 409 D CA 0.749 54.764 54.000 0.025 0.000 0.885 409 D CB -0.807 40.011 40.800 0.029 0.000 1.723 409 D HN 0.564 nan 8.370 nan 0.000 0.984 410 L N 1.707 122.938 121.223 0.012 0.000 2.317 410 L HA 0.270 4.610 4.340 0.001 0.000 0.281 410 L C 0.917 177.797 176.870 0.017 0.000 1.024 410 L CA -1.313 53.536 54.840 0.015 0.000 0.810 410 L CB 1.298 43.358 42.059 0.000 0.000 1.240 410 L HN 0.236 nan 8.230 nan 0.000 0.427 411 D N 1.735 122.148 120.400 0.022 0.000 2.369 411 D HA 0.116 4.757 4.640 0.001 0.000 0.241 411 D C 0.977 177.283 176.300 0.010 0.000 1.271 411 D CA -0.011 53.999 54.000 0.016 0.000 0.942 411 D CB 0.824 41.634 40.800 0.017 0.000 1.129 411 D HN 0.537 nan 8.370 nan 0.000 0.476 412 A N 0.140 122.963 122.820 0.006 0.000 1.969 412 A HA 0.103 4.424 4.320 0.001 0.000 0.218 412 A C 2.165 179.749 177.584 -0.000 0.000 1.169 412 A CA 1.905 53.943 52.037 0.001 0.000 0.635 412 A CB -1.192 17.807 19.000 -0.002 0.000 0.810 412 A HN 0.682 nan 8.150 nan 0.000 0.445 413 A N -0.154 122.667 122.820 0.002 0.000 1.930 413 A HA -0.082 4.239 4.320 0.001 0.000 0.217 413 A C 2.409 179.997 177.584 0.007 0.000 1.175 413 A CA 2.398 54.435 52.037 -0.000 0.000 0.627 413 A CB -1.158 17.841 19.000 -0.001 0.000 0.815 413 A HN 0.685 nan 8.150 nan 0.000 0.443 414 T N -3.021 111.542 114.554 0.015 0.000 2.937 414 T HA -0.069 4.282 4.350 0.001 0.000 0.260 414 T C 1.950 176.668 174.700 0.030 0.000 1.051 414 T CA 1.216 63.333 62.100 0.027 0.000 1.141 414 T CB -0.283 68.606 68.868 0.033 0.000 0.879 414 T HN 0.467 nan 8.240 nan 0.000 0.459 415 Q N 0.577 120.388 119.800 0.018 0.000 2.096 415 Q HA -0.209 4.131 4.340 0.001 0.000 0.204 415 Q C 2.528 178.534 176.000 0.010 0.000 0.982 415 Q CA 1.843 57.655 55.803 0.014 0.000 0.850 415 Q CB -0.197 28.544 28.738 0.005 0.000 0.901 415 Q HN 0.553 nan 8.270 nan 0.000 0.422 416 Q N 0.170 119.970 119.800 0.000 0.000 2.046 416 Q HA -0.169 4.171 4.340 0.001 0.000 0.200 416 Q C 1.821 177.812 176.000 -0.016 0.000 0.975 416 Q CA 1.352 57.146 55.803 -0.016 0.000 0.836 416 Q CB -0.486 28.238 28.738 -0.024 0.000 0.896 416 Q HN 0.424 nan 8.270 nan 0.000 0.428 417 L N -0.261 120.968 121.223 0.010 0.000 2.042 417 L HA -0.104 4.236 4.340 0.001 0.000 0.210 417 L C 2.005 178.927 176.870 0.087 0.000 1.076 417 L CA 1.687 56.549 54.840 0.037 0.000 0.749 417 L CB -0.638 41.462 42.059 0.068 0.000 0.893 417 L HN 0.390 nan 8.230 nan 0.000 0.432 418 L N -1.216 120.080 121.223 0.122 0.000 2.017 418 L HA -0.208 4.132 4.340 0.001 0.000 0.208 418 L C 2.515 179.418 176.870 0.055 0.000 1.073 418 L CA 1.538 56.497 54.840 0.198 0.000 0.745 418 L CB -0.706 41.435 42.059 0.138 0.000 0.894 418 L HN 0.228 nan 8.230 nan 0.000 0.432 419 S N -0.634 115.063 115.700 -0.004 0.000 2.370 419 S HA -0.235 4.236 4.470 0.001 0.000 0.226 419 S C 2.039 176.567 174.600 -0.121 0.000 1.033 419 S CA 1.419 59.587 58.200 -0.053 0.000 1.011 419 S CB -0.265 62.908 63.200 -0.045 0.000 0.852 419 S HN 0.253 nan 8.310 nan 0.000 0.457 420 R N 1.457 121.874 120.500 -0.138 0.000 2.073 420 R HA -0.002 4.339 4.340 0.001 0.000 0.234 420 R C 2.357 178.463 176.300 -0.324 0.000 1.134 420 R CA 1.851 57.838 56.100 -0.189 0.000 0.952 420 R CB -1.352 28.856 30.300 -0.153 0.000 0.850 420 R HN 0.364 nan 8.270 nan 0.000 0.433 421 G N -0.212 108.268 108.800 -0.532 0.000 2.491 421 G HA2 -0.256 3.705 3.960 0.001 0.000 0.218 421 G HA3 -0.256 3.705 3.960 0.001 0.000 0.218 421 G C 1.432 175.681 174.900 -1.084 0.000 1.180 421 G CA 1.532 45.840 45.100 -1.320 0.000 0.774 421 G HN 0.265 nan 8.290 nan 0.000 0.562 422 V N 0.433 119.962 119.914 -0.643 0.000 2.469 422 V HA -0.190 3.931 4.120 0.001 0.000 0.251 422 V C 2.797 178.796 176.094 -0.158 0.000 1.064 422 V CA 2.201 64.380 62.300 -0.203 0.000 1.066 422 V CB -0.622 31.186 31.823 -0.024 0.000 0.667 422 V HN 0.293 nan 8.190 nan 0.000 0.461 423 R N -0.304 120.086 120.500 -0.183 0.000 2.075 423 R HA 0.133 4.474 4.340 0.001 0.000 0.226 423 R C 2.327 178.552 176.300 -0.125 0.000 1.114 423 R CA 0.909 56.932 56.100 -0.129 0.000 0.972 423 R CB -0.341 29.881 30.300 -0.130 0.000 0.869 423 R HN 0.400 nan 8.270 nan 0.000 0.437 424 L N 0.069 121.189 121.223 -0.171 0.000 2.079 424 L HA -0.191 4.150 4.340 0.001 0.000 0.210 424 L C 2.217 179.030 176.870 -0.096 0.000 1.081 424 L CA 1.349 56.109 54.840 -0.133 0.000 0.752 424 L CB -0.683 41.279 42.059 -0.161 0.000 0.896 424 L HN 0.239 nan 8.230 nan 0.000 0.433 425 T N -0.842 113.644 114.554 -0.114 0.000 2.684 425 T HA -0.173 4.177 4.350 0.001 0.000 0.267 425 T C 1.786 176.472 174.700 -0.024 0.000 1.036 425 T CA 1.299 63.372 62.100 -0.044 0.000 1.148 425 T CB -0.142 68.723 68.868 -0.007 0.000 0.863 425 T HN 0.314 nan 8.240 nan 0.000 0.436 426 E N 1.172 121.355 120.200 -0.028 0.000 2.077 426 E HA -0.031 4.319 4.350 0.001 0.000 0.193 426 E C 2.290 178.889 176.600 -0.001 0.000 0.989 426 E CA 0.763 57.158 56.400 -0.009 0.000 0.800 426 E CB -0.499 29.199 29.700 -0.003 0.000 0.746 426 E HN 0.482 nan 8.360 nan 0.000 0.452 427 L N 0.299 121.517 121.223 -0.008 0.000 2.275 427 L HA -0.103 4.238 4.340 0.001 0.000 0.215 427 L C 2.255 179.129 176.870 0.006 0.000 1.119 427 L CA 0.563 55.409 54.840 0.009 0.000 0.790 427 L CB -0.249 41.811 42.059 0.001 0.000 0.919 427 L HN 0.071 nan 8.230 nan 0.000 0.443 428 L N -0.877 120.343 121.223 -0.005 0.000 2.558 428 L HA 0.040 4.381 4.340 0.001 0.000 0.225 428 L C 0.857 177.721 176.870 -0.010 0.000 1.128 428 L CA 0.068 54.906 54.840 -0.004 0.000 0.868 428 L CB -0.174 41.883 42.059 -0.005 0.000 1.006 428 L HN 0.125 nan 8.230 nan 0.000 0.454 429 K N 1.256 121.649 120.400 -0.013 0.000 2.258 429 K HA 0.282 4.603 4.320 0.001 0.000 0.264 429 K C -0.182 176.403 176.600 -0.024 0.000 1.007 429 K CA 0.130 56.402 56.287 -0.026 0.000 0.941 429 K CB 0.813 33.297 32.500 -0.027 0.000 0.966 429 K HN -0.038 nan 8.250 nan 0.000 0.480 430 Q N 0.048 119.823 119.800 -0.041 0.000 2.541 430 Q HA 0.238 4.579 4.340 0.001 0.000 0.259 430 Q C -1.060 174.902 176.000 -0.063 0.000 0.974 430 Q CA -0.485 55.294 55.803 -0.039 0.000 0.955 430 Q CB 1.505 30.224 28.738 -0.031 0.000 1.517 430 Q HN 0.826 nan 8.270 nan 0.000 0.412 431 G N 1.574 110.338 108.800 -0.059 0.000 2.563 431 G HA2 0.323 4.284 3.960 0.001 0.000 0.283 431 G HA3 0.323 4.284 3.960 0.001 0.000 0.283 431 G C -0.631 174.193 174.900 -0.126 0.000 1.309 431 G CA -0.211 44.840 45.100 -0.082 0.000 1.022 431 G HN 0.565 nan 8.290 nan 0.000 0.501 432 Q N -1.593 118.084 119.800 -0.206 0.000 2.221 432 Q HA 0.375 4.715 4.340 0.001 0.000 0.242 432 Q C -0.580 175.242 176.000 -0.296 0.000 0.940 432 Q CA -0.480 55.053 55.803 -0.449 0.000 0.896 432 Q CB 1.124 29.310 28.738 -0.921 0.000 1.226 432 Q HN 0.652 nan 8.270 nan 0.000 0.463 433 Y N -1.317 118.980 120.300 -0.006 0.000 4.907 433 Y HA -0.260 4.291 4.550 0.001 0.000 0.246 433 Y C 0.141 176.032 175.900 -0.016 0.000 0.968 433 Y CA 0.245 58.338 58.100 -0.012 0.000 1.961 433 Y CB -1.453 36.998 38.460 -0.014 0.000 1.487 433 Y HN 0.358 nan 8.280 nan 0.000 0.575 434 S N 0.989 116.735 115.700 0.076 0.000 2.139 434 S HA 0.250 4.721 4.470 0.001 0.000 0.183 434 S C -2.252 172.352 174.600 0.007 0.000 1.473 434 S CA -0.899 57.323 58.200 0.037 0.000 1.263 434 S CB 0.743 63.957 63.200 0.024 0.000 1.170 434 S HN 0.067 nan 8.310 nan 0.000 0.430 435 P HA 0.121 nan 4.420 nan 0.000 0.266 435 P C -0.493 176.797 177.300 -0.016 0.000 1.195 435 P CA 0.034 63.133 63.100 -0.002 0.000 0.768 435 P CB 0.445 32.150 31.700 0.009 0.000 0.838 436 M N 1.739 121.331 119.600 -0.014 0.000 2.318 436 M HA 0.458 4.938 4.480 0.001 0.000 0.347 436 M C 0.642 176.930 176.300 -0.020 0.000 1.175 436 M CA -0.759 54.528 55.300 -0.021 0.000 1.075 436 M CB 1.582 34.175 32.600 -0.012 0.000 1.614 436 M HN 0.344 nan 8.290 nan 0.000 0.456 437 A N 1.813 124.610 122.820 -0.039 0.000 2.445 437 A HA 0.165 4.486 4.320 0.001 0.000 0.242 437 A C 0.971 178.554 177.584 -0.002 0.000 1.075 437 A CA -0.410 51.608 52.037 -0.031 0.000 0.777 437 A CB 0.070 19.034 19.000 -0.059 0.000 1.013 437 A HN 0.953 nan 8.150 nan 0.000 0.493 438 I N 1.150 121.736 120.570 0.027 0.000 2.194 438 I HA -0.256 3.915 4.170 0.001 0.000 0.246 438 I C 2.525 178.651 176.117 0.015 0.000 1.093 438 I CA 2.516 63.834 61.300 0.030 0.000 1.355 438 I CB -0.336 37.691 38.000 0.045 0.000 1.046 438 I HN 0.867 nan 8.210 nan 0.000 0.413 439 E N 0.773 120.973 120.200 0.001 0.000 2.077 439 E HA -0.283 4.068 4.350 0.001 0.000 0.193 439 E C 1.780 178.368 176.600 -0.020 0.000 0.989 439 E CA 1.909 58.301 56.400 -0.014 0.000 0.800 439 E CB -0.922 28.759 29.700 -0.031 0.000 0.746 439 E HN 0.686 nan 8.360 nan 0.000 0.452 440 E N 0.882 121.064 120.200 -0.030 0.000 2.110 440 E HA -0.177 4.173 4.350 0.001 0.000 0.193 440 E C 2.380 178.988 176.600 0.014 0.000 0.988 440 E CA 1.201 57.580 56.400 -0.034 0.000 0.804 440 E CB -0.155 29.512 29.700 -0.055 0.000 0.745 440 E HN 0.445 nan 8.360 nan 0.000 0.458 441 Q N 0.510 120.322 119.800 0.020 0.000 2.050 441 Q HA -0.129 4.211 4.340 0.001 0.000 0.202 441 Q C 2.473 178.511 176.000 0.064 0.000 0.980 441 Q CA 1.311 57.137 55.803 0.039 0.000 0.840 441 Q CB -0.097 28.659 28.738 0.030 0.000 0.898 441 Q HN 0.152 nan 8.270 nan 0.000 0.424 442 V N 1.162 121.112 119.914 0.059 0.000 2.343 442 V HA -0.292 3.829 4.120 0.001 0.000 0.247 442 V C 2.292 178.467 176.094 0.136 0.000 1.051 442 V CA 1.866 64.217 62.300 0.085 0.000 1.036 442 V CB -0.964 30.895 31.823 0.059 0.000 0.654 442 V HN 0.399 nan 8.190 nan 0.000 0.451 443 A N -0.392 122.495 122.820 0.112 0.000 1.902 443 A HA -0.139 4.182 4.320 0.001 0.000 0.217 443 A C 2.388 180.172 177.584 0.333 0.000 1.181 443 A CA 2.012 54.156 52.037 0.180 0.000 0.623 443 A CB -0.598 18.470 19.000 0.114 0.000 0.818 443 A HN 0.333 nan 8.150 nan 0.000 0.443 444 V N 0.670 120.748 119.914 0.273 0.000 2.270 444 V HA -0.228 3.892 4.120 0.001 0.000 0.245 444 V C 2.464 178.649 176.094 0.153 0.000 1.043 444 V CA 1.774 64.213 62.300 0.232 0.000 1.014 444 V CB -0.665 31.256 31.823 0.163 0.000 0.645 444 V HN 0.504 nan 8.190 nan 0.000 0.447 445 I N -0.461 120.185 120.570 0.126 0.000 2.163 445 I HA -0.292 3.879 4.170 0.001 0.000 0.243 445 I C 2.379 178.551 176.117 0.093 0.000 1.085 445 I CA 1.921 63.269 61.300 0.080 0.000 1.347 445 I CB -1.494 36.542 38.000 0.060 0.000 1.044 445 I HN 0.409 nan 8.210 nan 0.000 0.408 446 Y N 2.076 122.390 120.300 0.024 0.000 2.062 446 Y HA -0.399 4.151 4.550 0.001 0.000 0.273 446 Y C 2.667 178.575 175.900 0.014 0.000 1.206 446 Y CA 2.778 60.894 58.100 0.027 0.000 1.125 446 Y CB -0.353 38.150 38.460 0.072 0.000 0.951 446 Y HN 0.168 nan 8.280 nan 0.000 0.501 447 A N -0.108 122.858 122.820 0.242 0.000 1.908 447 A HA -0.164 4.156 4.320 0.001 0.000 0.218 447 A C 2.448 179.997 177.584 -0.059 0.000 1.181 447 A CA 1.987 54.100 52.037 0.126 0.000 0.627 447 A CB -1.726 17.253 19.000 -0.036 0.000 0.818 447 A HN 0.656 nan 8.150 nan 0.000 0.445 448 G N -0.452 108.297 108.800 -0.084 0.000 2.404 448 G HA2 -0.058 3.902 3.960 0.001 0.000 0.214 448 G HA3 -0.058 3.902 3.960 0.001 0.000 0.214 448 G C 1.585 176.363 174.900 -0.203 0.000 1.189 448 G CA 1.708 46.724 45.100 -0.139 0.000 0.789 448 G HN 1.009 nan 8.290 nan 0.000 0.533 449 V N -1.673 118.119 119.914 -0.204 0.000 2.809 449 V HA 0.150 4.271 4.120 0.001 0.000 0.256 449 V C 2.242 178.137 176.094 -0.333 0.000 1.080 449 V CA 1.082 63.248 62.300 -0.224 0.000 1.102 449 V CB -0.394 31.332 31.823 -0.162 0.000 0.705 449 V HN 0.092 nan 8.190 nan 0.000 0.475 450 R N 1.147 121.341 120.500 -0.510 0.000 2.313 450 R HA 0.287 4.628 4.340 0.001 0.000 0.199 450 R C 1.849 177.637 176.300 -0.853 0.000 0.958 450 R CA 0.576 56.231 56.100 -0.742 0.000 1.047 450 R CB -0.412 29.231 30.300 -1.095 0.000 0.955 450 R HN 0.870 nan 8.270 nan 0.000 0.481 451 G N 0.244 108.708 108.800 -0.560 0.000 2.176 451 G HA2 -0.336 3.625 3.960 0.001 0.000 0.253 451 G HA3 -0.336 3.625 3.960 0.001 0.000 0.253 451 G C 0.670 175.376 174.900 -0.323 0.000 0.979 451 G CA 0.264 45.122 45.100 -0.403 0.000 0.641 451 G HN 0.484 nan 8.290 nan 0.000 0.530 452 Y N -0.046 120.158 120.300 -0.161 0.000 2.571 452 Y HA 0.305 4.856 4.550 0.001 0.000 0.294 452 Y C 2.395 178.176 175.900 -0.199 0.000 1.141 452 Y CA 0.866 58.877 58.100 -0.149 0.000 1.308 452 Y CB 0.119 38.507 38.460 -0.120 0.000 1.002 452 Y HN 0.360 nan 8.280 nan 0.000 0.551 453 L N -1.078 120.073 121.223 -0.119 0.000 2.808 453 L HA 0.129 4.470 4.340 0.001 0.000 0.246 453 L C 0.728 177.512 176.870 -0.144 0.000 1.153 453 L CA -0.119 54.599 54.840 -0.204 0.000 0.956 453 L CB 0.100 41.979 42.059 -0.301 0.000 1.270 453 L HN -0.041 nan 8.230 nan 0.000 0.528 454 D N 1.362 121.693 120.400 -0.116 0.000 2.315 454 D HA -0.174 4.466 4.640 0.001 0.000 0.211 454 D C 1.736 177.993 176.300 -0.072 0.000 0.977 454 D CA 1.373 55.314 54.000 -0.098 0.000 0.894 454 D CB 0.178 40.920 40.800 -0.095 0.000 0.910 454 D HN 0.265 nan 8.370 nan 0.000 0.490 455 K N -0.924 119.436 120.400 -0.066 0.000 2.402 455 K HA 0.138 4.459 4.320 0.001 0.000 0.203 455 K C 0.069 176.644 176.600 -0.042 0.000 1.077 455 K CA -0.467 55.794 56.287 -0.043 0.000 1.051 455 K CB 0.845 33.329 32.500 -0.028 0.000 0.907 455 K HN -0.030 nan 8.250 nan 0.000 0.554 456 L N 2.364 123.545 121.223 -0.070 0.000 2.426 456 L HA 0.090 4.431 4.340 0.001 0.000 0.271 456 L C -0.017 176.836 176.870 -0.028 0.000 1.169 456 L CA 0.260 55.068 54.840 -0.054 0.000 0.836 456 L CB 0.614 42.594 42.059 -0.132 0.000 1.112 456 L HN 0.059 nan 8.230 nan 0.000 0.465 457 E N 6.097 126.303 120.200 0.009 0.000 2.417 457 E HA 0.024 4.375 4.350 0.001 0.000 0.261 457 E C -1.717 174.895 176.600 0.020 0.000 1.000 457 E CA -1.258 55.152 56.400 0.016 0.000 0.919 457 E CB 0.981 30.700 29.700 0.032 0.000 0.955 457 E HN 0.533 nan 8.360 nan 0.000 0.455 458 P HA -0.221 nan 4.420 nan 0.000 0.216 458 P C 1.292 178.608 177.300 0.028 0.000 1.150 458 P CA 1.439 64.541 63.100 0.005 0.000 0.843 458 P CB 0.117 31.818 31.700 0.002 0.000 0.787 459 S N -0.967 114.755 115.700 0.038 0.000 2.469 459 S HA -0.108 4.363 4.470 0.001 0.000 0.238 459 S C 1.593 176.241 174.600 0.081 0.000 0.998 459 S CA 0.986 59.215 58.200 0.050 0.000 0.957 459 S CB -0.801 62.425 63.200 0.043 0.000 0.764 459 S HN 0.183 nan 8.310 nan 0.000 0.514 460 K N 0.129 120.592 120.400 0.106 0.000 2.354 460 K HA 0.303 4.624 4.320 0.001 0.000 0.194 460 K C 1.451 178.178 176.600 0.212 0.000 1.038 460 K CA -0.088 56.315 56.287 0.192 0.000 1.052 460 K CB 0.032 32.683 32.500 0.251 0.000 0.861 460 K HN 0.333 nan 8.250 nan 0.000 0.535 461 I N 1.521 122.164 120.570 0.122 0.000 2.194 461 I HA -0.271 3.899 4.170 0.001 0.000 0.246 461 I C 2.004 178.216 176.117 0.159 0.000 1.093 461 I CA 1.747 63.111 61.300 0.107 0.000 1.355 461 I CB -1.043 36.978 38.000 0.035 0.000 1.046 461 I HN 0.139 nan 8.210 nan 0.000 0.413 462 T N 0.333 114.960 114.554 0.121 0.000 2.777 462 T HA -0.199 4.151 4.350 0.001 0.000 0.266 462 T C 1.987 176.760 174.700 0.122 0.000 1.040 462 T CA 1.513 63.674 62.100 0.101 0.000 1.141 462 T CB -0.083 68.825 68.868 0.067 0.000 0.868 462 T HN 0.258 nan 8.240 nan 0.000 0.444 463 K N 0.073 120.580 120.400 0.178 0.000 2.097 463 K HA -0.069 4.251 4.320 0.001 0.000 0.206 463 K C 1.971 178.690 176.600 0.199 0.000 1.049 463 K CA 1.070 57.498 56.287 0.235 0.000 0.933 463 K CB -0.311 32.389 32.500 0.333 0.000 0.717 463 K HN 0.317 nan 8.250 nan 0.000 0.442 464 F N 2.082 121.994 119.950 -0.062 0.000 2.069 464 F HA -0.210 4.317 4.527 0.001 0.000 0.298 464 F C 2.230 177.928 175.800 -0.171 0.000 1.113 464 F CA 2.167 59.865 58.000 -0.502 0.000 1.214 464 F CB -0.441 38.236 39.000 -0.537 0.000 0.978 464 F HN 0.182 nan 8.300 nan 0.000 0.474 465 E N 0.120 120.297 120.200 -0.038 0.000 2.070 465 E HA -0.305 4.045 4.350 0.001 0.000 0.197 465 E C 1.918 178.463 176.600 -0.092 0.000 1.004 465 E CA 1.803 58.180 56.400 -0.038 0.000 0.805 465 E CB -0.278 29.474 29.700 0.087 0.000 0.744 465 E HN 0.424 nan 8.360 nan 0.000 0.451 466 N N 0.366 119.036 118.700 -0.050 0.000 2.142 466 N HA -0.118 4.623 4.740 0.001 0.000 0.186 466 N C 1.608 177.082 175.510 -0.061 0.000 1.023 466 N CA 1.452 54.481 53.050 -0.034 0.000 0.852 466 N CB -0.597 37.901 38.487 0.019 0.000 0.998 466 N HN 0.301 nan 8.380 nan 0.000 0.424 467 A N 0.636 123.429 122.820 -0.045 0.000 1.865 467 A HA -0.161 4.160 4.320 0.001 0.000 0.217 467 A C 2.150 179.648 177.584 -0.143 0.000 1.191 467 A CA 1.305 53.377 52.037 0.059 0.000 0.623 467 A CB -1.188 17.966 19.000 0.257 0.000 0.826 467 A HN 0.321 nan 8.150 nan 0.000 0.444 468 F N -0.001 119.516 119.950 -0.722 0.000 2.120 468 F HA -0.177 4.351 4.527 0.001 0.000 0.300 468 F C 1.808 177.249 175.800 -0.597 0.000 1.095 468 F CA 1.783 59.116 58.000 -1.113 0.000 1.249 468 F CB -0.328 37.866 39.000 -1.343 0.000 0.995 468 F HN 0.169 nan 8.300 nan 0.000 0.480 469 L N 0.343 121.261 121.223 -0.510 0.000 2.109 469 L HA -0.118 4.223 4.340 0.001 0.000 0.207 469 L C 2.793 179.444 176.870 -0.364 0.000 1.086 469 L CA 2.041 56.599 54.840 -0.470 0.000 0.760 469 L CB -1.201 40.733 42.059 -0.210 0.000 0.910 469 L HN 0.367 nan 8.230 nan 0.000 0.437 470 S N -2.334 113.230 115.700 -0.227 0.000 2.423 470 S HA -0.241 4.229 4.470 0.001 0.000 0.231 470 S C 2.053 176.581 174.600 -0.120 0.000 1.014 470 S CA 1.005 59.125 58.200 -0.133 0.000 0.965 470 S CB -0.779 62.395 63.200 -0.045 0.000 0.785 470 S HN 0.622 nan 8.310 nan 0.000 0.495 471 H N 2.695 121.598 119.070 -0.278 0.000 2.293 471 H HA -0.034 4.522 4.556 0.001 0.000 0.300 471 H C 2.089 177.267 175.328 -0.251 0.000 1.082 471 H CA 2.337 58.245 56.048 -0.234 0.000 1.308 471 H CB -0.648 28.894 29.762 -0.367 0.000 1.375 471 H HN 0.321 nan 8.280 nan 0.000 0.495 472 V N -1.194 118.331 119.914 -0.649 0.000 2.548 472 V HA -0.083 4.037 4.120 0.001 0.000 0.249 472 V C 2.483 178.365 176.094 -0.353 0.000 1.055 472 V CA 1.717 63.668 62.300 -0.581 0.000 1.065 472 V CB -0.772 30.606 31.823 -0.742 0.000 0.681 472 V HN 0.401 nan 8.190 nan 0.000 0.462 473 I N 2.174 122.560 120.570 -0.307 0.000 2.202 473 I HA -0.172 3.999 4.170 0.001 0.000 0.242 473 I C 2.922 178.939 176.117 -0.167 0.000 1.091 473 I CA 1.890 63.068 61.300 -0.204 0.000 1.368 473 I CB -0.348 37.551 38.000 -0.168 0.000 1.058 473 I HN 0.546 nan 8.210 nan 0.000 0.410 474 S N -0.012 115.591 115.700 -0.162 0.000 2.362 474 S HA -0.207 4.264 4.470 0.001 0.000 0.221 474 S C 1.989 176.486 174.600 -0.171 0.000 1.032 474 S CA 0.873 58.997 58.200 -0.127 0.000 0.973 474 S CB -0.316 62.840 63.200 -0.075 0.000 0.849 474 S HN 0.336 nan 8.310 nan 0.000 0.465 475 Q N 0.158 119.804 119.800 -0.257 0.000 2.376 475 Q HA 0.213 4.554 4.340 0.001 0.000 0.206 475 Q C 0.175 175.811 176.000 -0.606 0.000 0.921 475 Q CA 0.860 56.426 55.803 -0.395 0.000 0.911 475 Q CB 0.196 28.674 28.738 -0.435 0.000 1.032 475 Q HN 0.841 nan 8.270 nan 0.000 0.510 476 H N -1.396 117.500 119.070 -0.291 0.000 2.651 476 H HA 0.180 4.736 4.556 0.001 0.000 0.241 476 H C 0.235 175.449 175.328 -0.191 0.000 1.225 476 H CA -0.185 55.720 56.048 -0.237 0.000 0.942 476 H CB 0.699 30.286 29.762 -0.292 0.000 1.996 476 H HN 0.037 nan 8.280 nan 0.000 0.600 477 Q N 0.877 120.615 119.800 -0.102 0.000 2.443 477 Q HA -0.044 4.296 4.340 0.001 0.000 0.213 477 Q C 1.837 177.798 176.000 -0.064 0.000 0.982 477 Q CA 1.387 57.136 55.803 -0.090 0.000 0.894 477 Q CB 0.088 28.770 28.738 -0.094 0.000 0.947 477 Q HN 0.632 nan 8.270 nan 0.000 0.480 478 A N -0.774 122.017 122.820 -0.048 0.000 1.984 478 A HA 0.047 4.367 4.320 0.001 0.000 0.214 478 A C 1.883 179.450 177.584 -0.028 0.000 1.173 478 A CA 0.296 52.312 52.037 -0.035 0.000 0.673 478 A CB -0.385 18.599 19.000 -0.028 0.000 0.830 478 A HN 0.437 nan 8.150 nan 0.000 0.453 479 L N -0.114 121.097 121.223 -0.021 0.000 1.970 479 L HA -0.187 4.153 4.340 0.001 0.000 0.212 479 L C 2.532 179.365 176.870 -0.061 0.000 1.071 479 L CA 1.656 56.470 54.840 -0.044 0.000 0.751 479 L CB -0.445 41.572 42.059 -0.069 0.000 0.889 479 L HN 0.413 nan 8.230 nan 0.000 0.432 480 L N -0.675 120.504 121.223 -0.074 0.000 2.043 480 L HA -0.211 4.129 4.340 0.001 0.000 0.212 480 L C 2.588 179.425 176.870 -0.056 0.000 1.075 480 L CA 1.481 56.275 54.840 -0.077 0.000 0.752 480 L CB -1.256 40.745 42.059 -0.097 0.000 0.891 480 L HN 0.402 nan 8.230 nan 0.000 0.432 481 G N -0.272 108.498 108.800 -0.050 0.000 2.422 481 G HA2 -0.290 3.671 3.960 0.001 0.000 0.218 481 G HA3 -0.290 3.671 3.960 0.001 0.000 0.218 481 G C 1.692 176.574 174.900 -0.030 0.000 1.146 481 G CA 0.827 45.904 45.100 -0.039 0.000 0.769 481 G HN 0.182 nan 8.290 nan 0.000 0.547 482 K N 0.386 120.768 120.400 -0.031 0.000 2.031 482 K HA 0.155 4.475 4.320 0.001 0.000 0.205 482 K C 2.421 179.007 176.600 -0.023 0.000 1.049 482 K CA 0.652 56.925 56.287 -0.024 0.000 0.939 482 K CB -0.462 32.023 32.500 -0.024 0.000 0.717 482 K HN 0.345 nan 8.250 nan 0.000 0.438 483 I N 0.456 121.008 120.570 -0.030 0.000 2.208 483 I HA -0.329 3.841 4.170 0.001 0.000 0.245 483 I C 2.563 178.671 176.117 -0.015 0.000 1.097 483 I CA 1.461 62.746 61.300 -0.025 0.000 1.363 483 I CB -0.255 37.723 38.000 -0.037 0.000 1.051 483 I HN 0.198 nan 8.210 nan 0.000 0.413 484 R N 0.315 120.804 120.500 -0.017 0.000 2.096 484 R HA -0.152 4.189 4.340 0.001 0.000 0.235 484 R C 2.110 178.408 176.300 -0.003 0.000 1.127 484 R CA 2.048 58.144 56.100 -0.007 0.000 0.968 484 R CB -0.174 30.119 30.300 -0.011 0.000 0.861 484 R HN 0.283 nan 8.270 nan 0.000 0.440 485 T N 0.339 114.888 114.554 -0.008 0.000 2.939 485 T HA -0.015 4.336 4.350 0.001 0.000 0.254 485 T C 0.946 175.642 174.700 -0.006 0.000 1.041 485 T CA 1.062 63.158 62.100 -0.006 0.000 1.142 485 T CB -0.122 68.741 68.868 -0.009 0.000 0.874 485 T HN 0.250 nan 8.240 nan 0.000 0.452 486 D N 0.864 121.260 120.400 -0.007 0.000 2.219 486 D HA 0.086 4.727 4.640 0.001 0.000 0.205 486 D C 1.782 178.080 176.300 -0.004 0.000 0.970 486 D CA 1.136 55.132 54.000 -0.005 0.000 0.851 486 D CB -0.594 40.203 40.800 -0.005 0.000 0.943 486 D HN 0.481 nan 8.370 nan 0.000 0.488 487 G N 0.763 109.561 108.800 -0.004 0.000 2.168 487 G HA2 -0.344 3.617 3.960 0.001 0.000 0.257 487 G HA3 -0.344 3.617 3.960 0.001 0.000 0.257 487 G C 0.264 175.165 174.900 0.002 0.000 0.997 487 G CA 1.205 46.304 45.100 -0.002 0.000 0.708 487 G HN 0.584 nan 8.290 nan 0.000 0.520 488 K N -1.540 118.862 120.400 0.003 0.000 2.533 488 K HA 0.788 5.109 4.320 0.001 0.000 0.284 488 K C -0.841 175.765 176.600 0.010 0.000 1.025 488 K CA -1.435 54.857 56.287 0.010 0.000 0.900 488 K CB 1.267 33.773 32.500 0.010 0.000 1.519 488 K HN 0.106 nan 8.250 nan 0.000 0.432 489 I N 2.949 123.532 120.570 0.022 0.000 2.371 489 I HA 0.142 4.313 4.170 0.001 0.000 0.282 489 I C 0.073 176.207 176.117 0.028 0.000 1.031 489 I CA -0.649 60.665 61.300 0.023 0.000 1.180 489 I CB 1.506 39.538 38.000 0.053 0.000 1.336 489 I HN 0.803 nan 8.210 nan 0.000 0.467 490 S N 3.705 119.413 115.700 0.015 0.000 2.617 490 S HA 0.177 4.648 4.470 0.001 0.000 0.259 490 S C 0.982 175.597 174.600 0.026 0.000 1.301 490 S CA -0.474 57.736 58.200 0.017 0.000 0.984 490 S CB 1.088 64.293 63.200 0.008 0.000 0.954 490 S HN 0.625 nan 8.310 nan 0.000 0.572 491 E N 0.297 120.513 120.200 0.027 0.000 2.153 491 E HA -0.197 4.153 4.350 0.001 0.000 0.194 491 E C 1.954 178.571 176.600 0.029 0.000 0.988 491 E CA 1.273 57.694 56.400 0.034 0.000 0.811 491 E CB -0.103 29.614 29.700 0.030 0.000 0.746 491 E HN 0.853 nan 8.360 nan 0.000 0.466 492 E N 0.627 120.837 120.200 0.017 0.000 2.015 492 E HA -0.161 4.189 4.350 0.001 0.000 0.191 492 E C 2.125 178.725 176.600 -0.001 0.000 0.991 492 E CA 1.301 57.707 56.400 0.009 0.000 0.802 492 E CB 0.073 29.776 29.700 0.005 0.000 0.759 492 E HN -0.009 nan 8.360 nan 0.000 0.447 493 S N 0.959 116.651 115.700 -0.012 0.000 2.372 493 S HA -0.240 4.231 4.470 0.001 0.000 0.227 493 S C 1.613 176.177 174.600 -0.060 0.000 1.044 493 S CA 1.561 59.736 58.200 -0.042 0.000 1.050 493 S CB -0.549 62.626 63.200 -0.043 0.000 0.901 493 S HN 0.408 nan 8.310 nan 0.000 0.447 494 D N 1.344 121.742 120.400 -0.003 0.000 2.092 494 D HA -0.098 4.542 4.640 0.001 0.000 0.193 494 D C 2.058 178.397 176.300 0.066 0.000 0.994 494 D CA 1.567 55.604 54.000 0.061 0.000 0.828 494 D CB -0.478 40.406 40.800 0.141 0.000 0.963 494 D HN 0.318 nan 8.370 nan 0.000 0.450 495 A N 0.474 123.323 122.820 0.049 0.000 1.908 495 A HA -0.207 4.113 4.320 0.001 0.000 0.218 495 A C 2.216 179.804 177.584 0.006 0.000 1.181 495 A CA 1.866 53.928 52.037 0.041 0.000 0.627 495 A CB -0.492 18.527 19.000 0.032 0.000 0.818 495 A HN 0.263 nan 8.150 nan 0.000 0.445 496 K N -0.564 119.821 120.400 -0.026 0.000 2.057 496 K HA -0.013 4.307 4.320 0.001 0.000 0.207 496 K C 1.904 178.437 176.600 -0.112 0.000 1.049 496 K CA 1.269 57.521 56.287 -0.060 0.000 0.931 496 K CB -0.344 32.118 32.500 -0.062 0.000 0.714 496 K HN 0.454 nan 8.250 nan 0.000 0.440 497 L N 1.288 122.413 121.223 -0.164 0.000 1.994 497 L HA -0.236 4.105 4.340 0.001 0.000 0.208 497 L C 2.650 179.468 176.870 -0.086 0.000 1.071 497 L CA 1.451 56.138 54.840 -0.255 0.000 0.745 497 L CB -0.402 41.224 42.059 -0.721 0.000 0.892 497 L HN 0.198 nan 8.230 nan 0.000 0.431 498 K N 0.348 120.772 120.400 0.039 0.000 2.063 498 K HA -0.292 4.029 4.320 0.001 0.000 0.208 498 K C 2.004 178.526 176.600 -0.130 0.000 1.048 498 K CA 2.095 58.386 56.287 0.007 0.000 0.928 498 K CB -0.113 32.443 32.500 0.093 0.000 0.713 498 K HN 0.358 nan 8.250 nan 0.000 0.442 499 E N 0.674 120.841 120.200 -0.054 0.000 2.031 499 E HA -0.192 4.158 4.350 0.001 0.000 0.193 499 E C 2.090 178.691 176.600 0.000 0.000 0.994 499 E CA 1.437 57.818 56.400 -0.032 0.000 0.800 499 E CB -0.158 29.538 29.700 -0.007 0.000 0.752 499 E HN 0.407 nan 8.360 nan 0.000 0.447 500 I N 1.241 121.808 120.570 -0.005 0.000 2.118 500 I HA -0.283 3.887 4.170 0.001 0.000 0.241 500 I C 2.774 179.014 176.117 0.205 0.000 1.070 500 I CA 1.595 62.938 61.300 0.071 0.000 1.327 500 I CB -0.538 37.407 38.000 -0.092 0.000 1.034 500 I HN 0.230 nan 8.210 nan 0.000 0.405 501 V N -0.261 119.735 119.914 0.136 0.000 2.453 501 V HA -0.195 3.925 4.120 0.001 0.000 0.247 501 V C 2.484 178.626 176.094 0.081 0.000 1.048 501 V CA 2.232 64.615 62.300 0.137 0.000 1.049 501 V CB -1.204 30.610 31.823 -0.015 0.000 0.672 501 V HN 0.611 nan 8.190 nan 0.000 0.457 502 T N -0.914 113.587 114.554 -0.089 0.000 2.777 502 T HA -0.151 4.199 4.350 0.001 0.000 0.266 502 T C 1.845 176.562 174.700 0.029 0.000 1.040 502 T CA 1.764 63.802 62.100 -0.103 0.000 1.141 502 T CB -0.743 68.002 68.868 -0.205 0.000 0.868 502 T HN 0.543 nan 8.240 nan 0.000 0.444 503 N N 0.499 119.243 118.700 0.074 0.000 2.207 503 N HA 0.090 4.831 4.740 0.001 0.000 0.182 503 N C 1.519 177.117 175.510 0.147 0.000 1.020 503 N CA 0.690 53.796 53.050 0.094 0.000 0.858 503 N CB -0.528 38.013 38.487 0.090 0.000 0.991 503 N HN 0.396 nan 8.380 nan 0.000 0.427 504 F N 2.293 122.307 119.950 0.106 0.000 2.095 504 F HA -0.096 4.432 4.527 0.001 0.000 0.298 504 F C 2.303 178.250 175.800 0.247 0.000 1.104 504 F CA 1.007 59.096 58.000 0.148 0.000 1.232 504 F CB -0.244 38.887 39.000 0.218 0.000 0.987 504 F HN -0.036 nan 8.300 nan 0.000 0.475 505 L N -0.188 121.301 121.223 0.444 0.000 1.989 505 L HA -0.225 4.115 4.340 0.001 0.000 0.211 505 L C 2.590 179.587 176.870 0.212 0.000 1.071 505 L CA 1.798 56.847 54.840 0.348 0.000 0.749 505 L CB -1.017 41.087 42.059 0.075 0.000 0.890 505 L HN 0.288 nan 8.230 nan 0.000 0.431 506 A N -0.164 122.722 122.820 0.110 0.000 1.908 506 A HA -0.181 4.140 4.320 0.001 0.000 0.218 506 A C 2.290 179.890 177.584 0.026 0.000 1.181 506 A CA 1.761 53.831 52.037 0.055 0.000 0.627 506 A CB -1.326 17.692 19.000 0.030 0.000 0.818 506 A HN 0.553 nan 8.150 nan 0.000 0.445 507 G N -1.370 107.420 108.800 -0.016 0.000 2.421 507 G HA2 -0.247 3.713 3.960 0.001 0.000 0.216 507 G HA3 -0.247 3.713 3.960 0.001 0.000 0.216 507 G C 1.485 176.338 174.900 -0.079 0.000 1.171 507 G CA 1.150 46.195 45.100 -0.091 0.000 0.775 507 G HN 0.525 nan 8.290 nan 0.000 0.543 508 F N 1.158 120.981 119.950 -0.211 0.000 2.171 508 F HA 0.063 4.590 4.527 0.001 0.000 0.300 508 F C 2.396 178.183 175.800 -0.022 0.000 1.090 508 F CA 1.592 59.522 58.000 -0.118 0.000 1.293 508 F CB 0.138 39.164 39.000 0.043 0.000 1.013 508 F HN 0.199 nan 8.300 nan 0.000 0.486 509 E N 0.509 120.769 120.200 0.100 0.000 2.502 509 E HA 0.150 4.501 4.350 0.001 0.000 0.194 509 E C 0.824 177.389 176.600 -0.057 0.000 1.062 509 E CA -0.046 56.362 56.400 0.014 0.000 0.867 509 E CB -0.010 29.741 29.700 0.084 0.000 0.888 509 E HN 0.404 nan 8.360 nan 0.000 0.510 510 A N 0.000 122.771 122.820 -0.082 0.000 2.254 510 A HA 0.000 4.321 4.320 0.001 0.000 0.244 510 A CA 0.000 51.992 52.037 -0.074 0.000 0.836 510 A CB 0.000 18.959 19.000 -0.068 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486